3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile

C17H12ClN5O — CID 162523824

IUPAC3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile
SMILESN#Cc1cccc(-n2c(=O)nc(N)c3ccc(C4CC4)nc32)c1Cl
InChIInChI=1S/C17H12ClN5O/c18-14-10(8-19)2-1-3-13(14)23-16-11(15(20)22-17(23)24)6-7-12(21-16)9-4-5-9/h1-3,6-7,9H,4-5H2,(H2,20,22,24)
InChIKeyTUZVKUBBCRKIPL-UHFFFAOYSA-N
MW337.77 g/mol
LogP2.77
Rot. Bonds2

About 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile

3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile (PubChem CID 162523824) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile.

Molecular Properties

Compound Name3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile
PubChem CID162523824
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile
SMILESN#Cc1cccc(-n2c(=O)nc(N)c3ccc(C4CC4)nc32)c1Cl
InChIInChI=1S/C17H12ClN5O/c18-14-10(8-19)2-1-3-13(14)23-16-11(15(20)22-17(23)24)6-7-12(21-16)9-4-5-9/h1-3,6-7,9H,4-5H2,(H2,20,22,24)
InChIKeyTUZVKUBBCRKIPL-UHFFFAOYSA-N
XLogP2.77
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile with MolForge

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Related Compounds

4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one
CID 162523896
4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one
CID 162523776
4-amino-1-(2-methyl-3-pyridinyl)-7-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-one
CID 162523594
4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one
CID 162523782
2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115041246
2-[5-chloro-4-methyl-6-oxo-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-1-yl]benzonitrile
CID 90879625
2-chloro-6-cyclopropylpyridin-3-amine
CID 82597834
2-[5-[(3R)-1-[4-amino-2-(hydroxymethyl)quinazolin-6-yl]-5-oxopyrrolidin-3-yl]-2-chlorophenoxy]-3-chlorobenzonitrile
CID 71052295
2-(3-chlorophenyl)-3-[(3-cyano-6-cyclopropyl-2-pyridinyl)sulfanyl]propanamide
CID 175696744
6-[1-(4-hydroxyphenyl)piperidin-4-yl]-1-[3-(methylamino)cyclobutyl]pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 139425696
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599
ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate
CID 50853263

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile?
The IUPAC name of 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile (CID 162523824) is 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile.
What is the SMILES notation for 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile?
The canonical SMILES for 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile is N#Cc1cccc(-n2c(=O)nc(N)c3ccc(C4CC4)nc32)c1Cl.
What is the InChIKey of 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile?
The InChIKey is TUZVKUBBCRKIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c18-14-10(8-19)2-1-3-13(14)23-16-11(15(20)22-17(23)24)6-7-12(21-16)9-4-5-9/h1-3,6-7,9H,4-5H2,(H2,20,22,24).
What are the key properties of 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile?
3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile has a molecular weight of 337.77 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-7-cyclopropyl-2-oxopyrido[2,3-d]pyrimidin-1-yl)-2-chlorobenzonitrile is sourced from PubChem (CID 162523824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).