2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide

C22H22N4O2 — CID 143530164

IUPAC2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide
SMILESNC(=O)c1cc2c3ccccc3n(CCCOCc3ccccc3)c2nc1N
InChIInChI=1S/C22H22N4O2/c23-20-18(21(24)27)13-17-16-9-4-5-10-19(16)26(22(17)25-20)11-6-12-28-14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H2,23,25)(H2,24,27)
InChIKeyGIQYSMOKQIKGTE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.48
Rot. Bonds7

About 2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide

2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide (PubChem CID 143530164) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide
PubChem CID143530164
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide
SMILESNC(=O)c1cc2c3ccccc3n(CCCOCc3ccccc3)c2nc1N
InChIInChI=1S/C22H22N4O2/c23-20-18(21(24)27)13-17-16-9-4-5-10-19(16)26(22(17)25-20)11-6-12-28-14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H2,23,25)(H2,24,27)
InChIKeyGIQYSMOKQIKGTE-UHFFFAOYSA-N
XLogP3.48
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-9-(2-piperidin-1-ylethyl)pyrido[2,3-b]indole-3-carboxamide
CID 143530155
2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid
CID 66676514
1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid
CID 66676403
2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide
CID 24900611
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
2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide
CID 24900804
9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide
CID 89341066
9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide
CID 71173807
2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide
CID 160741702
tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate
CID 24900747
diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
CID 15309070
9-(phenylmethoxymethyl)carbazole
CID 2227531

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide?
The IUPAC name of 2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide (CID 143530164) is 2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide.
What is the SMILES notation for 2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide?
The canonical SMILES for 2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide is NC(=O)c1cc2c3ccccc3n(CCCOCc3ccccc3)c2nc1N.
What is the InChIKey of 2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide?
The InChIKey is GIQYSMOKQIKGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-20-18(21(24)27)13-17-16-9-4-5-10-19(16)26(22(17)25-20)11-6-12-28-14-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H2,23,25)(H2,24,27).
What are the key properties of 2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide?
2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(3-phenylmethoxypropyl)pyrido[2,3-b]indole-3-carboxamide is sourced from PubChem (CID 143530164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).