N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide

C22H25N5O2 — CID 53168185

IUPACN-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(N3CCCC3)c3c(C)cc(C)nc3n2)c(C)c1
InChIInChI=1S/C22H25N5O2/c1-13-12-16(29-4)7-8-17(13)24-22(28)20-25-19-18(14(2)11-15(3)23-19)21(26-20)27-9-5-6-10-27/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,24,28)
InChIKeyLSWMXBDIUSYQLO-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.81
Rot. Bonds4

About N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide

N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide (PubChem CID 53168185) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
PubChem CID53168185
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(N3CCCC3)c3c(C)cc(C)nc3n2)c(C)c1
InChIInChI=1S/C22H25N5O2/c1-13-12-16(29-4)7-8-17(13)24-22(28)20-25-19-18(14(2)11-15(3)23-19)21(26-20)27-9-5-6-10-27/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,24,28)
InChIKeyLSWMXBDIUSYQLO-UHFFFAOYSA-N
XLogP3.81
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 71838007
5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53201126
5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168197
(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53168181
5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190129
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide
CID 163663259
N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959514
3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 26403321

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide (CID 53168185) is N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide is COc1ccc(NC(=O)c2nc(N3CCCC3)c3c(C)cc(C)nc3n2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is LSWMXBDIUSYQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13-12-16(29-4)7-8-17(13)24-22(28)20-25-19-18(14(2)11-15(3)23-19)21(26-20)27-9-5-6-10-27/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,24,28).
What are the key properties of N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53168185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).