N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide

C21H25ClN4O — CID 92636404

IUPACN-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCN(C3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN4O/c1-14-19(21(27)25-17-8-6-16(22)7-9-17)12-23-20(24-14)15-10-11-26(13-15)18-4-2-3-5-18/h6-9,12,15,18H,2-5,10-11,13H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyXPVGGVANSCSHTQ-OAHLLOKOSA-N
MW384.91 g/mol
LogP4.42
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide

N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 92636404) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID92636404
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC NameN-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCN(C3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN4O/c1-14-19(21(27)25-17-8-6-16(22)7-9-17)12-23-20(24-14)15-10-11-26(13-15)18-4-2-3-5-18/h6-9,12,15,18H,2-5,10-11,13H2,1H3,(H,25,27)/t15-/m1/s1
InChIKeyXPVGGVANSCSHTQ-OAHLLOKOSA-N
XLogP4.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250665
2-(1-benzoylpyrrolidin-3-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088672
2-[1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088679
N-(4-chlorophenyl)-4-methyl-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92636399
N-(4-chlorophenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250685
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110084840
N-(4-chlorophenyl)-4-methyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110253222
N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084844
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110084692
2-(1-benzoylpiperidin-2-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247677
2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639808
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640157

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide (CID 92636404) is N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide is Cc1nc([C@@H]2CCN(C3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is XPVGGVANSCSHTQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-14-19(21(27)25-17-8-6-16(22)7-9-17)12-23-20(24-14)15-10-11-26(13-15)18-4-2-3-5-18/h6-9,12,15,18H,2-5,10-11,13H2,1H3,(H,25,27)/t15-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92636404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).