N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide

C18H16ClN3O — CID 97425894

IUPACN-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccncc1
InChIInChI=1S/C18H16ClN3O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-18(23)11-6-8-20-9-7-11/h4-10,16,21H,1-3H2,(H,22,23)/t16-/m1/s1
InChIKeyVHKCHSCMOGBBIS-MRXNPFEDSA-N
MW325.80 g/mol
LogP4.02
Rot. Bonds2

About N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide

N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide (PubChem CID 97425894) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
PubChem CID97425894
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccncc1
InChIInChI=1S/C18H16ClN3O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-18(23)11-6-8-20-9-7-11/h4-10,16,21H,1-3H2,(H,22,23)/t16-/m1/s1
InChIKeyVHKCHSCMOGBBIS-MRXNPFEDSA-N
XLogP4.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97426241
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide
CID 11474133
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(tetrazol-1-yl)benzamide
CID 75490473
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(tetrazol-1-yl)benzamide
CID 97496892
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 71827376
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 124879396
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 110205500
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7074070
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 110204755
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 97489596
6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65332691

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide (CID 97425894) is N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide is O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccncc1.
What is the InChIKey of N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide?
The InChIKey is VHKCHSCMOGBBIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-12-4-5-15-14(10-12)13-2-1-3-16(17(13)21-15)22-18(23)11-6-8-20-9-7-11/h4-10,16,21H,1-3H2,(H,22,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide?
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97425894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).