(3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide

C18H27N5O2 — CID 92632445

IUPAC(3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide
SMILESCc1nc(N)ncc1C(=O)N1CCC[C@@](C)(C(=O)NC2CCCC2)C1
InChIInChI=1S/C18H27N5O2/c1-12-14(10-20-17(19)21-12)15(24)23-9-5-8-18(2,11-23)16(25)22-13-6-3-4-7-13/h10,13H,3-9,11H2,1-2H3,(H,22,25)(H2,19,20,21)/t18-/m1/s1
InChIKeyIDAUHBVAVCOVQP-GOSISDBHSA-N
MW345.45 g/mol
LogP1.67
Rot. Bonds3

About (3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide

(3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide (PubChem CID 92632445) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide
PubChem CID92632445
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide
SMILESCc1nc(N)ncc1C(=O)N1CCC[C@@](C)(C(=O)NC2CCCC2)C1
InChIInChI=1S/C18H27N5O2/c1-12-14(10-20-17(19)21-12)15(24)23-9-5-8-18(2,11-23)16(25)22-13-6-3-4-7-13/h10,13H,3-9,11H2,1-2H3,(H,22,25)(H2,19,20,21)/t18-/m1/s1
InChIKeyIDAUHBVAVCOVQP-GOSISDBHSA-N
XLogP1.67
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97117341
4-(2-amino-4-methylpyrimidine-5-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86287002
N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110249120
(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 95851494
1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119452421
N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide
CID 110249083
(2R)-N-cyclopentyl-2-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)morpholine-2-carboxamide
CID 92632661
3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 155985492
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 110244224
(2S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N,N,2-trimethylpyrrolidine-2-carboxamide
CID 95851895
(3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide
CID 92632456

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide (CID 92632445) is (3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide is Cc1nc(N)ncc1C(=O)N1CCC[C@@](C)(C(=O)NC2CCCC2)C1.
What is the InChIKey of (3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide?
The InChIKey is IDAUHBVAVCOVQP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12-14(10-20-17(19)21-12)15(24)23-9-5-8-18(2,11-23)16(25)22-13-6-3-4-7-13/h10,13H,3-9,11H2,1-2H3,(H,22,25)(H2,19,20,21)/t18-/m1/s1.
What are the key properties of (3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide?
(3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-N-cyclopentyl-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 92632445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).