N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide

C21H24N4O — CID 96563164

IUPACN-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide
SMILESO=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc2cc[nH]c12
InChIInChI=1S/C21H24N4O/c26-21(19-7-1-6-18-8-10-23-20(18)19)24-13-17-5-3-11-25(15-17)14-16-4-2-9-22-12-16/h1-2,4,6-10,12,17,23H,3,5,11,13-15H2,(H,24,26)/t17-/m0/s1
InChIKeyFECSVNDAFGASIM-KRWDZBQOSA-N
MW348.45 g/mol
LogP3.20
Rot. Bonds5

About N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide

N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide (PubChem CID 96563164) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide
PubChem CID96563164
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide
SMILESO=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc2cc[nH]c12
InChIInChI=1S/C21H24N4O/c26-21(19-7-1-6-18-8-10-23-20(18)19)24-13-17-5-3-11-25(15-17)14-16-4-2-9-22-12-16/h1-2,4,6-10,12,17,23H,3,5,11,13-15H2,(H,24,26)/t17-/m0/s1
InChIKeyFECSVNDAFGASIM-KRWDZBQOSA-N
XLogP3.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
N-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole-7-carboxamide
CID 103707474
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45190230
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
CID 95229690
trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97212321
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 97215175
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide (CID 96563164) is N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide is O=C(NC[C@@H]1CCCN(Cc2cccnc2)C1)c1cccc2cc[nH]c12.
What is the InChIKey of N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide?
The InChIKey is FECSVNDAFGASIM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O/c26-21(19-7-1-6-18-8-10-23-20(18)19)24-13-17-5-3-11-25(15-17)14-16-4-2-9-22-12-16/h1-2,4,6-10,12,17,23H,3,5,11,13-15H2,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide?
N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 96563164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).