N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide

C19H21N5O4 — CID 44783214

IUPACN-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCCNC(=O)CNc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O
InChIInChI=1S/C19H21N5O4/c1-2-7-20-16(25)12-21-15-11-22-17-14(6-3-8-24(17)19(15)27)18(26)23-10-13-5-4-9-28-13/h3-6,8-9,11,21H,2,7,10,12H2,1H3,(H,20,25)(H,23,26)
InChIKeyYLSIGKZUBNFFLD-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.16
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide

N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 44783214) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID44783214
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCCNC(=O)CNc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O
InChIInChI=1S/C19H21N5O4/c1-2-7-20-16(25)12-21-15-11-22-17-14(6-3-8-24(17)19(15)27)18(26)23-10-13-5-4-9-28-13/h3-6,8-9,11,21H,2,7,10,12H2,1H3,(H,20,25)(H,23,26)
InChIKeyYLSIGKZUBNFFLD-UHFFFAOYSA-N
XLogP1.16
TPSA117.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783213
N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783208
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43401459
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17404436
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9103530
N-(furan-2-ylmethyl)-3-(3-methylbutanoylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783089
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9224560
N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 4947937
N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
CID 44782669

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide (CID 44783214) is N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide is CCCNC(=O)CNc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is YLSIGKZUBNFFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-2-7-20-16(25)12-21-15-11-22-17-14(6-3-8-24(17)19(15)27)18(26)23-10-13-5-4-9-28-13/h3-6,8-9,11,21H,2,7,10,12H2,1H3,(H,20,25)(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 44783214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).