(4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C23H32N4O3 — CID 7436647

IUPAC(4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CC2=NC(=O)C[C@](C)(C(=O)N(CC(=O)NC3CCCC3)C3CCCC3)N12
InChIInChI=1S/C23H32N4O3/c1-16-8-7-13-19-25-20(28)14-23(2,27(16)19)22(30)26(18-11-5-6-12-18)15-21(29)24-17-9-3-4-10-17/h7-8,13,17-18H,3-6,9-12,14-15H2,1-2H3,(H,24,29)/t23-/m1/s1
InChIKeyATOJTLXOVOCATP-HSZRJFAPSA-N
MW412.53 g/mol
LogP2.68
Rot. Bonds5

About (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

(4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 7436647) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID7436647
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name(4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CC2=NC(=O)C[C@](C)(C(=O)N(CC(=O)NC3CCCC3)C3CCCC3)N12
InChIInChI=1S/C23H32N4O3/c1-16-8-7-13-19-25-20(28)14-23(2,27(16)19)22(30)26(18-11-5-6-12-18)15-21(29)24-17-9-3-4-10-17/h7-8,13,17-18H,3-6,9-12,14-15H2,1-2H3,(H,24,29)/t23-/m1/s1
InChIKeyATOJTLXOVOCATP-HSZRJFAPSA-N
XLogP2.68
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224861
(4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 7226830
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224114
3-[acetyl(cyclopentyl)amino]-N-cyclopentylpropanamide
CID 113116313
2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
CID 102875096
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467732
2-[cyclohexyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
CID 60694014
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide
CID 2986754
2-[2-aminoethyl(cyclopropyl)amino]-N-cycloheptylacetamide
CID 62548939

Frequently Asked Questions

What is the IUPAC name of (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 7436647) is (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CC=CC2=NC(=O)C[C@](C)(C(=O)N(CC(=O)NC3CCCC3)C3CCCC3)N12.
What is the InChIKey of (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is ATOJTLXOVOCATP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-16-8-7-13-19-25-20(28)14-23(2,27(16)19)22(30)26(18-11-5-6-12-18)15-21(29)24-17-9-3-4-10-17/h7-8,13,17-18H,3-6,9-12,14-15H2,1-2H3,(H,24,29)/t23-/m1/s1.
What are the key properties of (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
(4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 7436647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).