N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid

C29H31N3O3 — CID 143893700

IUPACN-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid
SMILESO=C(NCC1CCCCC1)c1cccc2ccn(Cc3ccc(-c4ccccc4)cn3)c12.O=CO
InChIInChI=1S/C28H29N3O.CH2O2/c32-28(30-18-21-8-3-1-4-9-21)26-13-7-12-23-16-17-31(27(23)26)20-25-15-14-24(19-29-25)22-10-5-2-6-11-22;2-1-3/h2,5-7,10-17,19,21H,1,3-4,8-9,18,20H2,(H,30,32);1H,(H,2,3)
InChIKeyBCUFGYVIDHGXTA-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.76
Rot. Bonds6

About N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid

N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid (PubChem CID 143893700) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid
PubChem CID143893700
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid
SMILESO=C(NCC1CCCCC1)c1cccc2ccn(Cc3ccc(-c4ccccc4)cn3)c12.O=CO
InChIInChI=1S/C28H29N3O.CH2O2/c32-28(30-18-21-8-3-1-4-9-21)26-13-7-12-23-16-17-31(27(23)26)20-25-15-14-24(19-29-25)22-10-5-2-6-11-22;2-1-3/h2,5-7,10-17,19,21H,1,3-4,8-9,18,20H2,(H,30,32);1H,(H,2,3)
InChIKeyBCUFGYVIDHGXTA-UHFFFAOYSA-N
XLogP5.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[[4-[hydroxy(methoxy)methyl]cyclohexyl]methyl]-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide
CID 143893667
methyl 4-[[[1-[(5-phenyl-2-pyridinyl)methyl]-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 58306980
4-[[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 58306437
4-[[[5-cyano-1-(isoquinolin-3-ylmethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 58306754
methyl 4-[[[5-fluoro-1-(isoquinolin-3-ylmethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 58306605
methyl 4-[[[5-chloro-1-[(5-piperidin-1-yl-2-pyridinyl)methyl]indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 58306943
6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
1-(1-benzothiophen-2-ylmethyl)-N-[[4-(methoxymethyl)cyclohexyl]methyl]indole-7-carboxamide
CID 58306652
5-chloro-N-(cyclohexylmethyl)-1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-7-carboxamide;formic acid
CID 143893703
[4-[[[1-(quinolin-2-ylmethyl)-5-(trifluoromethyl)indole-7-carbonyl]amino]methyl]cyclohexyl] formate
CID 87184286
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-(1-cyclopropylcyclopropyl)-1-[(6-phenyl-3-pyridinyl)methyl]indole-7-carboxamide
CID 166774655

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid?
The IUPAC name of N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid (CID 143893700) is N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid?
The canonical SMILES for N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid is O=C(NCC1CCCCC1)c1cccc2ccn(Cc3ccc(-c4ccccc4)cn3)c12.O=CO.
What is the InChIKey of N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid?
The InChIKey is BCUFGYVIDHGXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O.CH2O2/c32-28(30-18-21-8-3-1-4-9-21)26-13-7-12-23-16-17-31(27(23)26)20-25-15-14-24(19-29-25)22-10-5-2-6-11-22;2-1-3/h2,5-7,10-17,19,21H,1,3-4,8-9,18,20H2,(H,30,32);1H,(H,2,3).
What are the key properties of N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid?
N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid has a molecular weight of 469.59 g/mol, XLogP of 5.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[(5-phenyl-2-pyridinyl)methyl]indole-7-carboxamide;formic acid is sourced from PubChem (CID 143893700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).