N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H17N3O3 — CID 97086330

IUPACN-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccccn2c1=O)[C@@H]1COc2ccccc21
InChIInChI=1S/C19H17N3O3/c1-12(15-11-25-16-7-3-2-6-13(15)16)21-18(23)14-10-20-17-8-4-5-9-22(17)19(14)24/h2-10,12,15H,11H2,1H3,(H,21,23)/t12-,15+/m1/s1
InChIKeyNFKMOOSFHQYZFA-DOMZBBRYSA-N
MW335.36 g/mol
LogP1.99
Rot. Bonds3

About N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 97086330) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID97086330
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccccn2c1=O)[C@@H]1COc2ccccc21
InChIInChI=1S/C19H17N3O3/c1-12(15-11-25-16-7-3-2-6-13(15)16)21-18(23)14-10-20-17-8-4-5-9-22(17)19(14)24/h2-10,12,15H,11H2,1H3,(H,21,23)/t12-,15+/m1/s1
InChIKeyNFKMOOSFHQYZFA-DOMZBBRYSA-N
XLogP1.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 97086330) is N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is C[C@@H](NC(=O)c1cnc2ccccn2c1=O)[C@@H]1COc2ccccc21.
What is the InChIKey of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NFKMOOSFHQYZFA-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12(15-11-25-16-7-3-2-6-13(15)16)21-18(23)14-10-20-17-8-4-5-9-22(17)19(14)24/h2-10,12,15H,11H2,1H3,(H,21,23)/t12-,15+/m1/s1.
What are the key properties of N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 97086330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).