N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide

C19H21N5O — CID 77088126

IUPACN-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
SMILESO=C(NCC1CCCN(c2ncccn2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C19H21N5O/c25-18(16-5-4-15-6-9-20-17(15)11-16)23-12-14-3-1-10-24(13-14)19-21-7-2-8-22-19/h2,4-9,11,14,20H,1,3,10,12-13H2,(H,23,25)
InChIKeyOBNUMCVKZBWJIZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.60
Rot. Bonds4

About N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide

N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide (PubChem CID 77088126) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
PubChem CID77088126
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
SMILESO=C(NCC1CCCN(c2ncccn2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C19H21N5O/c25-18(16-5-4-15-6-9-20-17(15)11-16)23-12-14-3-1-10-24(13-14)19-21-7-2-8-22-19/h2,4-9,11,14,20H,1,3,10,12-13H2,(H,23,25)
InChIKeyOBNUMCVKZBWJIZ-UHFFFAOYSA-N
XLogP2.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 99928341
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
3-oxo-N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99939662
5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 90648732
N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide
CID 131937541
8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide
CID 97138878
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
N-[[1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45226176
N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42514413
N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 131930403
2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
CID 118795123

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide (CID 77088126) is N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide is O=C(NCC1CCCN(c2ncccn2)C1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide?
The InChIKey is OBNUMCVKZBWJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-18(16-5-4-15-6-9-20-17(15)11-16)23-12-14-3-1-10-24(13-14)19-21-7-2-8-22-19/h2,4-9,11,14,20H,1,3,10,12-13H2,(H,23,25).
What are the key properties of N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide?
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 77088126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).