3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

C22H17N5O3 — CID 44783155

IUPAC3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESN#Cc1ccccc1CNc1cnc2ccc(C(=O)NCc3ccco3)cn2c1=O
InChIInChI=1S/C22H17N5O3/c23-10-15-4-1-2-5-16(15)11-24-19-13-25-20-8-7-17(14-27(20)22(19)29)21(28)26-12-18-6-3-9-30-18/h1-9,13-14,24H,11-12H2,(H,26,28)
InChIKeyZVWNCEMNSADVNA-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.70
Rot. Bonds6

About 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide

3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 44783155) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID44783155
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC Name3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESN#Cc1ccccc1CNc1cnc2ccc(C(=O)NCc3ccco3)cn2c1=O
InChIInChI=1S/C22H17N5O3/c23-10-15-4-1-2-5-16(15)11-24-19-13-25-20-8-7-17(14-27(20)22(19)29)21(28)26-12-18-6-3-9-30-18/h1-9,13-14,24H,11-12H2,(H,26,28)
InChIKeyZVWNCEMNSADVNA-UHFFFAOYSA-N
XLogP2.70
TPSA112.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide with MolForge

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Related Compounds

3-(furan-2-carbonylamino)-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783091
N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783089
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642
2-[3-[(2-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 71728728
4-[(2-cyanophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579072
3-[(2-cyanophenyl)methylamino]-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783152
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798995
ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate
CID 44782906
2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303579
2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide
CID 94804302
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 44783155) is 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is N#Cc1ccccc1CNc1cnc2ccc(C(=O)NCc3ccco3)cn2c1=O.
What is the InChIKey of 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is ZVWNCEMNSADVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c23-10-15-4-1-2-5-16(15)11-24-19-13-25-20-8-7-17(14-27(20)22(19)29)21(28)26-12-18-6-3-9-30-18/h1-9,13-14,24H,11-12H2,(H,26,28).
What are the key properties of 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 44783155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).