(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C19H21N5O — CID 96556781

IUPAC(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)cccc21
InChIInChI=1S/C19H21N5O/c1-23-12-8-15-16(6-2-7-17(15)23)22-18(25)14-5-3-11-24(13-14)19-20-9-4-10-21-19/h2,4,6-10,12,14H,3,5,11,13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyJVMVBGIKYMXQMF-CQSZACIVSA-N
MW335.41 g/mol
LogP2.82
Rot. Bonds3

About (3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 96556781) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID96556781
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCn1ccc2c(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)cccc21
InChIInChI=1S/C19H21N5O/c1-23-12-8-15-16(6-2-7-17(15)23)22-18(25)14-5-3-11-24(13-14)19-20-9-4-10-21-19/h2,4,6-10,12,14H,3,5,11,13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyJVMVBGIKYMXQMF-CQSZACIVSA-N
XLogP2.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-chloropyridazin-3-yl)-N-(1-methylindol-4-yl)piperidine-3-carboxamide
CID 96557312
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide
CID 134034978
(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 40599471
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71703277
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 96556781) is (3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is Cn1ccc2c(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)cccc21.
What is the InChIKey of (3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is JVMVBGIKYMXQMF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-12-8-15-16(6-2-7-17(15)23)22-18(25)14-5-3-11-24(13-14)19-20-9-4-10-21-19/h2,4,6-10,12,14H,3,5,11,13H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 96556781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).