3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide

C18H25N5O2 — CID 59258902

IUPAC3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide
SMILESCCNc1nc(C)c2cc(CCC(N)=O)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C18H25N5O2/c1-3-20-18-21-11(2)14-10-12(8-9-15(19)24)17(25)23(16(14)22-18)13-6-4-5-7-13/h10,13H,3-9H2,1-2H3,(H2,19,24)(H,20,21,22)
InChIKeyKERCNHYLLKJGSG-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.06
Rot. Bonds6

About 3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide

3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide (PubChem CID 59258902) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound Name3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide
PubChem CID59258902
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide
SMILESCCNc1nc(C)c2cc(CCC(N)=O)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C18H25N5O2/c1-3-20-18-21-11(2)14-10-12(8-9-15(19)24)17(25)23(16(14)22-18)13-6-4-5-7-13/h10,13H,3-9H2,1-2H3,(H2,19,24)(H,20,21,22)
InChIKeyKERCNHYLLKJGSG-UHFFFAOYSA-N
XLogP2.06
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 886207
2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 59258868
2-Amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258999
2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67246185
8-Ethyl-2-(ethylamino)-6-(4-ethyl-2-fluorocyclohexa-1,5-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 123436499
2-Amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 137384075
CID 163509323
CID 163509323
8-Ethyl-2-(ethylamino)-6-(4-fluorocyclohexa-1,3-dien-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 163850656
Pyrido[2,3-d]pyrimidin-7(8H)-one, 4,8-dimethyl-2-methylamino-
CID 609306
2-amino-6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-4-methyl-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 162600258
6-Bromo-8-cyclopropyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16122942
6-Bromo-8-cyclopentyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16122944

Frequently Asked Questions

What is the IUPAC name of 3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide?
The IUPAC name of 3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide (CID 59258902) is 3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide.
What is the SMILES notation for 3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide?
The canonical SMILES for 3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide is CCNc1nc(C)c2cc(CCC(N)=O)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide?
The InChIKey is KERCNHYLLKJGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-20-18-21-11(2)14-10-12(8-9-15(19)24)17(25)23(16(14)22-18)13-6-4-5-7-13/h10,13H,3-9H2,1-2H3,(H2,19,24)(H,20,21,22).
What are the key properties of 3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide?
3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 59258902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).