N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane

C28H38N6O2 — CID 143271671

IUPACN-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane
SMILESCC.CCC(=O)NCCn1c(=O)c(-c2ccccc2C)cc2cnc(NN3CC4CCCC4C3)nc21
InChIInChI=1S/C26H32N6O2.C2H6/c1-3-23(33)27-11-12-32-24-20(13-22(25(32)34)21-10-5-4-7-17(21)2)14-28-26(29-24)30-31-15-18-8-6-9-19(18)16-31;1-2/h4-5,7,10,13-14,18-19H,3,6,8-9,11-12,15-16H2,1-2H3,(H,27,33)(H,28,29,30);1-2H3
InChIKeyMXACFHGARDEPTH-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.38
Rot. Bonds7

About N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane

N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane (PubChem CID 143271671) has the molecular formula C28H38N6O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane.

Molecular Properties

Compound NameN-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane
PubChem CID143271671
Molecular FormulaC28H38N6O2
Molecular Weight490.65 g/mol
Exact Mass490.31
IUPAC NameN-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane
SMILESCC.CCC(=O)NCCn1c(=O)c(-c2ccccc2C)cc2cnc(NN3CC4CCCC4C3)nc21
InChIInChI=1S/C26H32N6O2.C2H6/c1-3-23(33)27-11-12-32-24-20(13-22(25(32)34)21-10-5-4-7-17(21)2)14-28-26(29-24)30-31-15-18-8-6-9-19(18)16-31;1-2/h4-5,7,10,13-14,18-19H,3,6,8-9,11-12,15-16H2,1-2H3,(H,27,33)(H,28,29,30);1-2H3
InChIKeyMXACFHGARDEPTH-UHFFFAOYSA-N
XLogP4.38
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylamino)-6-(2-methylphenyl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
CID 143271670
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylamino)-8-cyclopropyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 11495352
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(4-chlorophenyl)-8-cyclopropylpyrido[2,3-d]pyrimidin-7-one
CID 68943428
2-[(4,4-dihydroxycyclohexyl)amino]-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 59913222
8-methyl-6-(2-methylphenyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162333954
8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 102178580
(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 68739676
4-[2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 68738677
3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
CID 139602502
8-methyl-6-(2-methylphenyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 159644051
ethyl 4-[[6-(2-chlorophenyl)-7-oxo-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 23551832
8-methyl-6-(2-methylphenyl)-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162326219

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane?
The IUPAC name of N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane (CID 143271671) is N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane.
What is the SMILES notation for N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane?
The canonical SMILES for N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane is CC.CCC(=O)NCCn1c(=O)c(-c2ccccc2C)cc2cnc(NN3CC4CCCC4C3)nc21.
What is the InChIKey of N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane?
The InChIKey is MXACFHGARDEPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C2H6/c1-3-23(33)27-11-12-32-24-20(13-22(25(32)34)21-10-5-4-7-17(21)2)14-28-26(29-24)30-31-15-18-8-6-9-19(18)16-31;1-2/h4-5,7,10,13-14,18-19H,3,6,8-9,11-12,15-16H2,1-2H3,(H,27,33)(H,28,29,30);1-2H3.
What are the key properties of N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane?
N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane has a molecular weight of 490.65 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylamino)-6-(2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]propanamide;ethane is sourced from PubChem (CID 143271671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).