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

C24H21N5O5 — CID 44783213

IUPACN-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
SMILESO=C(CNc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O)NCC(=O)c1ccccc1
InChIInChI=1S/C24H21N5O5/c30-20(16-6-2-1-3-7-16)14-26-21(31)15-25-19-13-27-22-18(9-4-10-29(22)24(19)33)23(32)28-12-17-8-5-11-34-17/h1-11,13,25H,12,14-15H2,(H,26,31)(H,28,32)
InChIKeyZDANYQHJXXQJOO-UHFFFAOYSA-N
MW459.46 g/mol
LogP1.63
Rot. Bonds9

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

N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 44783213) has the molecular formula C24H21N5O5 and a molecular weight of 459.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID44783213
Molecular FormulaC24H21N5O5
Molecular Weight459.46 g/mol
Exact Mass459.15
IUPAC NameN-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
SMILESO=C(CNc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O)NCC(=O)c1ccccc1
InChIInChI=1S/C24H21N5O5/c30-20(16-6-2-1-3-7-16)14-26-21(31)15-25-19-13-27-22-18(9-4-10-29(22)24(19)33)23(32)28-12-17-8-5-11-34-17/h1-11,13,25H,12,14-15H2,(H,26,31)(H,28,32)
InChIKeyZDANYQHJXXQJOO-UHFFFAOYSA-N
XLogP1.63
TPSA134.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783214
N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783208
benzyl N-[9-[[2-(4-fluorophenyl)-2-oxoethyl]carbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]carbamate
CID 44783180
3-[(2-cyanophenyl)methylamino]-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783152
2-anilino-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 29238758
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922685
3-[(2-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783155
N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9103530
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 34657042
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide (CID 44783213) is N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)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-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide is O=C(CNc1cnc2c(C(=O)NCc3ccco3)cccn2c1=O)NCC(=O)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is ZDANYQHJXXQJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5/c30-20(16-6-2-1-3-7-16)14-26-21(31)15-25-19-13-27-22-18(9-4-10-29(22)24(19)33)23(32)28-12-17-8-5-11-34-17/h1-11,13,25H,12,14-15H2,(H,26,31)(H,28,32).
What are the key properties of N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 459.46 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 44783213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).