3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide

C19H23N5O — CID 71738986

IUPAC3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide
SMILESNc1ncc2c(n1)CCN(c1cccc(C(=O)NC3CCCC3)c1)C2
InChIInChI=1S/C19H23N5O/c20-19-21-11-14-12-24(9-8-17(14)23-19)16-7-3-4-13(10-16)18(25)22-15-5-1-2-6-15/h3-4,7,10-11,15H,1-2,5-6,8-9,12H2,(H,22,25)(H2,20,21,23)
InChIKeyIXPCSLBRYVUCTH-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.29
Rot. Bonds3

About 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide

3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide (PubChem CID 71738986) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide.

Molecular Properties

Compound Name3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide
PubChem CID71738986
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide
SMILESNc1ncc2c(n1)CCN(c1cccc(C(=O)NC3CCCC3)c1)C2
InChIInChI=1S/C19H23N5O/c20-19-21-11-14-12-24(9-8-17(14)23-19)16-7-3-4-13(10-16)18(25)22-15-5-1-2-6-15/h3-4,7,10-11,15H,1-2,5-6,8-9,12H2,(H,22,25)(H2,20,21,23)
InChIKeyIXPCSLBRYVUCTH-UHFFFAOYSA-N
XLogP2.29
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-piperazin-1-ylbenzamide
CID 28748940
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide
CID 109250307
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
1-[4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-6-methyl-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 147862763
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109052171
3-carbamothioyl-N-cyclopentylbenzamide
CID 24691849
N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898578
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide?
The IUPAC name of 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide (CID 71738986) is 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide.
What is the SMILES notation for 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide?
The canonical SMILES for 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide is Nc1ncc2c(n1)CCN(c1cccc(C(=O)NC3CCCC3)c1)C2.
What is the InChIKey of 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide?
The InChIKey is IXPCSLBRYVUCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c20-19-21-11-14-12-24(9-8-17(14)23-19)16-7-3-4-13(10-16)18(25)22-15-5-1-2-6-15/h3-4,7,10-11,15H,1-2,5-6,8-9,12H2,(H,22,25)(H2,20,21,23).
What are the key properties of 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide?
3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide has a molecular weight of 337.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide is sourced from PubChem (CID 71738986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).