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

C20H21N5O4 — CID 44783208

IUPACN-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
SMILESO=C(NCc1ccco1)c1cccn2c(=O)c(NCC(=O)N3CCCC3)cnc12
InChIInChI=1S/C20H21N5O4/c26-17(24-7-1-2-8-24)13-21-16-12-22-18-15(6-3-9-25(18)20(16)28)19(27)23-11-14-5-4-10-29-14/h3-6,9-10,12,21H,1-2,7-8,11,13H2,(H,23,27)
InChIKeyBDTSLGZJYMAWBR-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.25
Rot. Bonds6

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

N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 44783208) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID44783208
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC NameN-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide
SMILESO=C(NCc1ccco1)c1cccn2c(=O)c(NCC(=O)N3CCCC3)cnc12
InChIInChI=1S/C20H21N5O4/c26-17(24-7-1-2-8-24)13-21-16-12-22-18-15(6-3-9-25(18)20(16)28)19(27)23-11-14-5-4-10-29-14/h3-6,9-10,12,21H,1-2,7-8,11,13H2,(H,23,27)
InChIKeyBDTSLGZJYMAWBR-UHFFFAOYSA-N
XLogP1.25
TPSA108.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide (CID 44783208) is N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide is O=C(NCc1ccco1)c1cccn2c(=O)c(NCC(=O)N3CCCC3)cnc12.
What is the InChIKey of N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is BDTSLGZJYMAWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c26-17(24-7-1-2-8-24)13-21-16-12-22-18-15(6-3-9-25(18)20(16)28)19(27)23-11-14-5-4-10-29-14/h3-6,9-10,12,21H,1-2,7-8,11,13H2,(H,23,27).
What are the key properties of N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide?
N-(furan-2-ylmethyl)-4-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 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-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 44783208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).