3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide

C22H19FN4O — CID 10429489

IUPAC3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cnc2c(c1)CN(Cc1ccccc1)C=N2
InChIInChI=1S/C22H19FN4O/c23-20-8-4-7-17(9-20)11-25-22(28)18-10-19-14-27(15-26-21(19)24-12-18)13-16-5-2-1-3-6-16/h1-10,12,15H,11,13-14H2,(H,25,28)
InChIKeyXTDCAZNFAIUNCR-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.83
Rot. Bonds5

About 3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide

3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 10429489) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID10429489
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cnc2c(c1)CN(Cc1ccccc1)C=N2
InChIInChI=1S/C22H19FN4O/c23-20-8-4-7-17(9-20)11-25-22(28)18-10-19-14-27(15-26-21(19)24-12-18)13-16-5-2-1-3-6-16/h1-10,12,15H,11,13-14H2,(H,25,28)
InChIKeyXTDCAZNFAIUNCR-UHFFFAOYSA-N
XLogP3.83
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 10429489) is 3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide is O=C(NCc1cccc(F)c1)c1cnc2c(c1)CN(Cc1ccccc1)C=N2.
What is the InChIKey of 3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XTDCAZNFAIUNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-20-8-4-7-17(9-20)11-25-22(28)18-10-19-14-27(15-26-21(19)24-12-18)13-16-5-2-1-3-6-16/h1-10,12,15H,11,13-14H2,(H,25,28).
What are the key properties of 3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide?
3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(3-fluorophenyl)methyl]-4H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 10429489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).