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

C21H24N6O — CID 53201126

IUPAC5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N3CCCC3)nc(C(=O)NC(C)c3ccccn3)nc2n1
InChIInChI=1S/C21H24N6O/c1-13-12-14(2)23-18-17(13)20(27-10-6-7-11-27)26-19(25-18)21(28)24-15(3)16-8-4-5-9-22-16/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H,24,28)
InChIKeyVRXUNWLOCQVSRY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.13
Rot. Bonds4

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

5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide (PubChem CID 53201126) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
PubChem CID53201126
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N3CCCC3)nc(C(=O)NC(C)c3ccccn3)nc2n1
InChIInChI=1S/C21H24N6O/c1-13-12-14(2)23-18-17(13)20(27-10-6-7-11-27)26-19(25-18)21(28)24-15(3)16-8-4-5-9-22-16/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H,24,28)
InChIKeyVRXUNWLOCQVSRY-UHFFFAOYSA-N
XLogP3.13
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,7-dimethyl-N-(1-pyridin-2-ylethyl)-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-pyridin-2-ylpiperazin-1-yl)methanone
CID 53168181
5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53201122
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 53200695
2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide
CID 107022791
2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline
CID 43682397
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634141
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide (CID 53201126) is 5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide is Cc1cc(C)c2c(N3CCCC3)nc(C(=O)NC(C)c3ccccn3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is VRXUNWLOCQVSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13-12-14(2)23-18-17(13)20(27-10-6-7-11-27)26-19(25-18)21(28)24-15(3)16-8-4-5-9-22-16/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H,24,28).
What are the key properties of 5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53201126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).