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

C19H20N4O4 — CID 44783089

IUPACN-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(C)CC(=O)Nc1cnc2ccc(C(=O)NCc3ccco3)cn2c1=O
InChIInChI=1S/C19H20N4O4/c1-12(2)8-17(24)22-15-10-20-16-6-5-13(11-23(16)19(15)26)18(25)21-9-14-4-3-7-27-14/h3-7,10-12H,8-9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyHFIDTGGEGMWWTR-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.20
Rot. Bonds6

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

N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (PubChem CID 44783089) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
PubChem CID44783089
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
SMILESCC(C)CC(=O)Nc1cnc2ccc(C(=O)NCc3ccco3)cn2c1=O
InChIInChI=1S/C19H20N4O4/c1-12(2)8-17(24)22-15-10-20-16-6-5-13(11-23(16)19(15)26)18(25)21-9-14-4-3-7-27-14/h3-7,10-12H,8-9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyHFIDTGGEGMWWTR-UHFFFAOYSA-N
XLogP2.20
TPSA105.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-carbonylamino)-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783091
3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783155
ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate
CID 44782906
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
N-[2-(dimethylamino)ethyl]-4-oxo-3-(3-phenylpropanoylamino)pyrido[1,2-a]pyrimidine-7-carboxamide
CID 44782920
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 34657042
N-(furan-2-ylmethyl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 3897368
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 27244504
2-[4-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621941
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783214

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide (CID 44783089) is N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is CC(C)CC(=O)Nc1cnc2ccc(C(=O)NCc3ccco3)cn2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is HFIDTGGEGMWWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12(2)8-17(24)22-15-10-20-16-6-5-13(11-23(16)19(15)26)18(25)21-9-14-4-3-7-27-14/h3-7,10-12H,8-9H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide?
N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 44783089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).