N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide

C20H22N4O2 — CID 91840322

IUPACN-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H22N4O2/c25-19-13-24(12-14-2-1-7-21-11-14)9-6-17(19)23-20(26)16-4-3-15-5-8-22-18(15)10-16/h1-5,7-8,10-11,17,19,22,25H,6,9,12-13H2,(H,23,26)/t17-,19-/m1/s1
InChIKeyOQDOWZFQNQTERU-IEBWSBKVSA-N
MW350.42 g/mol
LogP1.93
Rot. Bonds4

About N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide

N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide (PubChem CID 91840322) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide
PubChem CID91840322
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H22N4O2/c25-19-13-24(12-14-2-1-7-21-11-14)9-6-17(19)23-20(26)16-4-3-15-5-8-22-18(15)10-16/h1-5,7-8,10-11,17,19,22,25H,6,9,12-13H2,(H,23,26)/t17-,19-/m1/s1
InChIKeyOQDOWZFQNQTERU-IEBWSBKVSA-N
XLogP1.93
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide
CID 91841370
N-[2-[[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 91839912
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020
N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 70765365
N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70767473
N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
CID 164633693
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide
CID 31053727
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
N-[(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-pyridin-3-ylacetamide
CID 164632888
N-[(3R,4R)-3-hydroxy-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70733332
4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 91788256
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide (CID 91840322) is N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide is O=C(N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide?
The InChIKey is OQDOWZFQNQTERU-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19-13-24(12-14-2-1-7-21-11-14)9-6-17(19)23-20(26)16-4-3-15-5-8-22-18(15)10-16/h1-5,7-8,10-11,17,19,22,25H,6,9,12-13H2,(H,23,26)/t17-,19-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 91840322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).