(4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C22H26N4O4 — CID 7226830

IUPAC(4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESC[C@@]1(C(=O)N(CC(=O)NC2CCCC2)Cc2ccco2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C22H26N4O4/c1-22(13-19(27)24-18-10-4-5-11-26(18)22)21(29)25(14-17-9-6-12-30-17)15-20(28)23-16-7-2-3-8-16/h4-6,9-12,16H,2-3,7-8,13-15H2,1H3,(H,23,28)/t22-/m0/s1
InChIKeyVWBPMAZMFVSINO-QFIPXVFZSA-N
MW410.47 g/mol
LogP2.14
Rot. Bonds6

About (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

(4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 7226830) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID7226830
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name(4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESC[C@@]1(C(=O)N(CC(=O)NC2CCCC2)Cc2ccco2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C22H26N4O4/c1-22(13-19(27)24-18-10-4-5-11-26(18)22)21(29)25(14-17-9-6-12-30-17)15-20(28)23-16-7-2-3-8-16/h4-6,9-12,16H,2-3,7-8,13-15H2,1H3,(H,23,28)/t22-/m0/s1
InChIKeyVWBPMAZMFVSINO-QFIPXVFZSA-N
XLogP2.14
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-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]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224114
N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108788030
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224861
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
(4R)-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 7436647
N-cyclopentyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150243
2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
CID 3389812
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
(4R)-N-benzyl-N-[2-(tert-butylamino)-2-oxoethyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 7436657
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 7226830) is (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is C[C@@]1(C(=O)N(CC(=O)NC2CCCC2)Cc2ccco2)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is VWBPMAZMFVSINO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-22(13-19(27)24-18-10-4-5-11-26(18)22)21(29)25(14-17-9-6-12-30-17)15-20(28)23-16-7-2-3-8-16/h4-6,9-12,16H,2-3,7-8,13-15H2,1H3,(H,23,28)/t22-/m0/s1.
What are the key properties of (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
(4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 7226830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).