N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

C19H17ClN4O2 — CID 126810024

IUPACN-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1
InChIInChI=1S/C19H17ClN4O2/c20-12-3-6-16-14(9-12)15-10-24(8-7-17(15)23-16)19(26)22-13-4-1-11(2-5-13)18(21)25/h1-6,9,23H,7-8,10H2,(H2,21,25)(H,22,26)
InChIKeySYQKNUJXQPGYIE-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.51
Rot. Bonds2

About N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide

N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (PubChem CID 126810024) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
PubChem CID126810024
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1
InChIInChI=1S/C19H17ClN4O2/c20-12-3-6-16-14(9-12)15-10-24(8-7-17(15)23-16)19(26)22-13-4-1-11(2-5-13)18(21)25/h1-6,9,23H,7-8,10H2,(H2,21,25)(H,22,26)
InChIKeySYQKNUJXQPGYIE-UHFFFAOYSA-N
XLogP3.51
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl 8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 113089288
8-chloro-N-[3-(dimethylamino)-3-oxopropyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 87038727
8-chloro-N-(1-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 87037959
9-chloro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole-2-carboxylic acid
CID 90294086
1-(9-chloro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indol-2-yl)ethanone
CID 67357282
1-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 56552952
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(2R)-oxolan-2-yl]methanone
CID 29134715
(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(4-fluorophenyl)methanone
CID 113089794
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(oxolan-3-yl)methanone
CID 70749177
8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 87038374
8-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 87038734
(4-chloro-3-piperidin-1-ylsulfonylphenyl)-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 55931181

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide (CID 126810024) is N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is NC(=O)c1ccc(NC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
The InChIKey is SYQKNUJXQPGYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-12-3-6-16-14(9-12)15-10-24(8-7-17(15)23-16)19(26)22-13-4-1-11(2-5-13)18(21)25/h1-6,9,23H,7-8,10H2,(H2,21,25)(H,22,26).
What are the key properties of N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide?
N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 126810024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).