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

C15H23N5O — CID 63139406

IUPAC3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CCN(c3ncccn3)CC2)CCNC1
InChIInChI=1S/C15H23N5O/c1-15(5-8-16-11-15)13(21)19-12-3-9-20(10-4-12)14-17-6-2-7-18-14/h2,6-7,12,16H,3-5,8-11H2,1H3,(H,19,21)
InChIKeyCMXFKMQKIQUCKJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.56
Rot. Bonds3

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

3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 63139406) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID63139406
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NC2CCN(c3ncccn3)CC2)CCNC1
InChIInChI=1S/C15H23N5O/c1-15(5-8-16-11-15)13(21)19-12-3-9-20(10-4-12)14-17-6-2-7-18-14/h2,6-7,12,16H,3-5,8-11H2,1H3,(H,19,21)
InChIKeyCMXFKMQKIQUCKJ-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(thian-4-yl)pyrrolidine-3-carboxamide
CID 115738917
N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63142128
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119864812
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63713938
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
N-cyclopropyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970652
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide
CID 103831283
trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 129398475

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (CID 63139406) is 3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is CC1(C(=O)NC2CCN(c3ncccn3)CC2)CCNC1.
What is the InChIKey of 3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is CMXFKMQKIQUCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-15(5-8-16-11-15)13(21)19-12-3-9-20(10-4-12)14-17-6-2-7-18-14/h2,6-7,12,16H,3-5,8-11H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).