4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

C15H23N5O — CID 63713938

IUPAC4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H23N5O/c1-11-9-16-10-13(11)14(21)19-12-3-7-20(8-4-12)15-17-5-2-6-18-15/h2,5-6,11-13,16H,3-4,7-10H2,1H3,(H,19,21)
InChIKeyKSDZUXSHNQQWFO-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.42
Rot. Bonds3

About 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 63713938) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID63713938
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H23N5O/c1-11-9-16-10-13(11)14(21)19-12-3-7-20(8-4-12)15-17-5-2-6-18-15/h2,5-6,11-13,16H,3-4,7-10H2,1H3,(H,19,21)
InChIKeyKSDZUXSHNQQWFO-UHFFFAOYSA-N
XLogP0.42
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 55228814
N-(1-ethylpiperidin-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 63715986
N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43700130
trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 129398475
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 135107590
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 114084930
N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109130885
3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63139406
(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 131110722
(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide
CID 131204171

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (CID 63713938) is 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is CC1CNCC1C(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is KSDZUXSHNQQWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-9-16-10-13(11)14(21)19-12-3-7-20(8-4-12)15-17-5-2-6-18-15/h2,5-6,11-13,16H,3-4,7-10H2,1H3,(H,19,21).
What are the key properties of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63713938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).