2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate

C54H52N14O10 — CID 159286694

IUPAC2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate
SMILESCOC(=O)NCC(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.COC(=O)NCC(C)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.NC(=O)c1cc2c3ccccc3n(C(=O)COCc3ccccc3)c2nc1N
InChIInChI=1S/C21H18N4O3.C17H19N5O3.C16H15N5O4/c22-19-16(20(23)27)10-15-14-8-4-5-9-17(14)25(21(15)24-19)18(26)12-28-11-13-6-2-1-3-7-13;1-9(8-20-17(24)25-2)22-13-6-4-3-5-10(13)11-7-12(15(19)23)14(18)21-16(11)22;1-25-16(24)19-7-12(22)21-11-5-3-2-4-8(11)9-6-10(14(18)23)13(17)20-15(9)21/h1-10H,11-12H2,(H2,22,24)(H2,23,27);3-7,9H,8H2,1-2H3,(H2,18,21)(H2,19,23)(H,20,24);2-6H,7H2,1H3,(H2,17,20)(H2,18,23)(H,19,24)
InChIKeyKZPHQSZIAPUDTB-UHFFFAOYSA-N
MW1057.10 g/mol
LogP5.38
Rot. Bonds12

About 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate

2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate (PubChem CID 159286694) has the molecular formula C54H52N14O10 and a molecular weight of 1057.10 g/mol. Its IUPAC name is 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate.

Molecular Properties

Compound Name2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate
PubChem CID159286694
Molecular FormulaC54H52N14O10
Molecular Weight1057.10 g/mol
Exact Mass1056.40
IUPAC Name2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate
SMILESCOC(=O)NCC(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.COC(=O)NCC(C)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.NC(=O)c1cc2c3ccccc3n(C(=O)COCc3ccccc3)c2nc1N
InChIInChI=1S/C21H18N4O3.C17H19N5O3.C16H15N5O4/c22-19-16(20(23)27)10-15-14-8-4-5-9-17(14)25(21(15)24-19)18(26)12-28-11-13-6-2-1-3-7-13;1-9(8-20-17(24)25-2)22-13-6-4-3-5-10(13)11-7-12(15(19)23)14(18)21-16(11)22;1-25-16(24)19-7-12(22)21-11-5-3-2-4-8(11)9-6-10(14(18)23)13(17)20-15(9)21/h1-10H,11-12H2,(H2,22,24)(H2,23,27);3-7,9H,8H2,1-2H3,(H2,18,21)(H2,19,23)(H,20,24);2-6H,7H2,1H3,(H2,17,20)(H2,18,23)(H,19,24)
InChIKeyKZPHQSZIAPUDTB-UHFFFAOYSA-N
XLogP5.38
TPSA380.82 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001057.10
LogP ≤ 55.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate
CID 24900747
2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide
CID 143530164
2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide
CID 24900611
1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid
CID 66676403
2-amino-9-(2-piperidin-1-ylethyl)pyrido[2,3-b]indole-3-carboxamide
CID 143530155
9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide
CID 89341066
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907534
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
1-[4-(benzylamino)-5-(methoxymethyl)pyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 118141287
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate?
The IUPAC name of 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate (CID 159286694) is 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate.
What is the SMILES notation for 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate?
The canonical SMILES for 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate is COC(=O)NCC(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.COC(=O)NCC(C)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.NC(=O)c1cc2c3ccccc3n(C(=O)COCc3ccccc3)c2nc1N.
What is the InChIKey of 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate?
The InChIKey is KZPHQSZIAPUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3.C17H19N5O3.C16H15N5O4/c22-19-16(20(23)27)10-15-14-8-4-5-9-17(14)25(21(15)24-19)18(26)12-28-11-13-6-2-1-3-7-13;1-9(8-20-17(24)25-2)22-13-6-4-3-5-10(13)11-7-12(15(19)23)14(18)21-16(11)22;1-25-16(24)19-7-12(22)21-11-5-3-2-4-8(11)9-6-10(14(18)23)13(17)20-15(9)21/h1-10H,11-12H2,(H2,22,24)(H2,23,27);3-7,9H,8H2,1-2H3,(H2,18,21)(H2,19,23)(H,20,24);2-6H,7H2,1H3,(H2,17,20)(H2,18,23)(H,19,24).
What are the key properties of 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate?
2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate has a molecular weight of 1057.10 g/mol, XLogP of 5.38, 12 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate is sourced from PubChem (CID 159286694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).