N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

C19H17FN4O3 — CID 126785835

IUPACN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCC2(c3cccc(F)c3)CC2)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C19H17FN4O3/c1-10-7-13(22-15-14(10)17(26)24-18(27)23-15)16(25)21-9-19(5-6-19)11-3-2-4-12(20)8-11/h2-4,7-8H,5-6,9H2,1H3,(H,21,25)(H2,22,23,24,26,27)
InChIKeyVVSFCTASYACLIL-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.52
Rot. Bonds4

About N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 126785835) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID126785835
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCC2(c3cccc(F)c3)CC2)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C19H17FN4O3/c1-10-7-13(22-15-14(10)17(26)24-18(27)23-15)16(25)21-9-19(5-6-19)11-3-2-4-12(20)8-11/h2-4,7-8H,5-6,9H2,1H3,(H,21,25)(H2,22,23,24,26,27)
InChIKeyVVSFCTASYACLIL-UHFFFAOYSA-N
XLogP1.52
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

N-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 126773254
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 132968647
1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 86888355
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 77090690
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
1-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506642
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119799654
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (CID 126785835) is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is Cc1cc(C(=O)NCC2(c3cccc(F)c3)CC2)nc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is VVSFCTASYACLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-10-7-13(22-15-14(10)17(26)24-18(27)23-15)16(25)21-9-19(5-6-19)11-3-2-4-12(20)8-11/h2-4,7-8H,5-6,9H2,1H3,(H,21,25)(H2,22,23,24,26,27).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 126785835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).