N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide

C14H14N4O2 — CID 177347189

IUPACN-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide
SMILESC=C(C)c1nc(NC(=O)C2CC2)nc2cc[nH]c(=O)c12
InChIInChI=1S/C14H14N4O2/c1-7(2)11-10-9(5-6-15-13(10)20)16-14(17-11)18-12(19)8-3-4-8/h5-6,8H,1,3-4H2,2H3,(H,15,20)(H,16,17,18,19)
InChIKeyYAQDBUPZHXZJOA-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.70
Rot. Bonds3

About N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide

N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide (PubChem CID 177347189) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide
PubChem CID177347189
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide
SMILESC=C(C)c1nc(NC(=O)C2CC2)nc2cc[nH]c(=O)c12
InChIInChI=1S/C14H14N4O2/c1-7(2)11-10-9(5-6-15-13(10)20)16-14(17-11)18-12(19)8-3-4-8/h5-6,8H,1,3-4H2,2H3,(H,15,20)(H,16,17,18,19)
InChIKeyYAQDBUPZHXZJOA-UHFFFAOYSA-N
XLogP1.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide
CID 164882572
cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide
CID 177348755
N-[4-[(5-methyl-3-propan-2-yl-4H-pyrazolo[5,4-c]quinolin-6-yl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
CID 177347622
N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
CID 152967795
N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 78928145
N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
CID 162505016
N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide
CID 836596
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
(2R)-2-methyl-N-[3-[[4-(3-methylanilino)-5-oxo-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]propyl]pyrrolidine-1-carboxamide
CID 123972325
N-(4-chloro-5-fluoropyrimidin-2-yl)cyclopropanecarboxamide
CID 165134210

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide (CID 177347189) is N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide is C=C(C)c1nc(NC(=O)C2CC2)nc2cc[nH]c(=O)c12.
What is the InChIKey of N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide?
The InChIKey is YAQDBUPZHXZJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-7(2)11-10-9(5-6-15-13(10)20)16-14(17-11)18-12(19)8-3-4-8/h5-6,8H,1,3-4H2,2H3,(H,15,20)(H,16,17,18,19).
What are the key properties of N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide?
N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 177347189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).