N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide

C20H21N3O — CID 47027656

IUPACN-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1
InChIInChI=1S/C20H21N3O/c1-13-9-10-21-19(11-13)23-20(24)14-7-8-18-16(12-14)15-5-3-2-4-6-17(15)22-18/h7-12,22H,2-6H2,1H3,(H,21,23,24)
InChIKeySNWMRAOZQDQUFQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.39
Rot. Bonds2

About N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide

N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide (PubChem CID 47027656) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
PubChem CID47027656
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1
InChIInChI=1S/C20H21N3O/c1-13-9-10-21-19(11-13)23-20(24)14-7-8-18-16(12-14)15-5-3-2-4-6-17(15)22-18/h7-12,22H,2-6H2,1H3,(H,21,23,24)
InChIKeySNWMRAOZQDQUFQ-UHFFFAOYSA-N
XLogP4.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.39
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

4-hydroxy-N-(4-methyl-2-pyridinyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54679426
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CID 27258967
N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46809541
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
CID 2107760
N-(1-propan-2-ylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71933883
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 55979033
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27252931
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide (CID 47027656) is N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide is Cc1ccnc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide?
The InChIKey is SNWMRAOZQDQUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-13-9-10-21-19(11-13)23-20(24)14-7-8-18-16(12-14)15-5-3-2-4-6-17(15)22-18/h7-12,22H,2-6H2,1H3,(H,21,23,24).
What are the key properties of N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide?
N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide is sourced from PubChem (CID 47027656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).