N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H17N3O4 — CID 74230092

IUPACN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@H]1CCc2ccccc2O1)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C19H17N3O4/c23-15-5-3-9-22-17(15)20-11-14(19(22)25)18(24)21-10-13-8-7-12-4-1-2-6-16(12)26-13/h1-6,9,11,13,23H,7-8,10H2,(H,21,24)/t13-/m1/s1
InChIKeyPKJKDAQGSDCSCL-CYBMUJFWSA-N
MW351.36 g/mol
LogP1.52
Rot. Bonds3

About N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 74230092) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID74230092
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@H]1CCc2ccccc2O1)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C19H17N3O4/c23-15-5-3-9-22-17(15)20-11-14(19(22)25)18(24)21-10-13-8-7-12-4-1-2-6-16(12)26-13/h1-6,9,11,13,23H,7-8,10H2,(H,21,24)/t13-/m1/s1
InChIKeyPKJKDAQGSDCSCL-CYBMUJFWSA-N
XLogP1.52
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70751645
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 77082448
9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 74234390
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384946
5-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 72916975
N-[(1,1-dioxothian-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 118789772
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42363556
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70739570
N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20886611
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
CID 62232676
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 74243443
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 74230092) is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC[C@H]1CCc2ccccc2O1)c1cnc2c(O)cccn2c1=O.
What is the InChIKey of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PKJKDAQGSDCSCL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-15-5-3-9-22-17(15)20-11-14(19(22)25)18(24)21-10-13-8-7-12-4-1-2-6-16(12)26-13/h1-6,9,11,13,23H,7-8,10H2,(H,21,24)/t13-/m1/s1.
What are the key properties of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 74230092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).