N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H19N3O2 — CID 94809213

IUPACN-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(c1cnc2ccccn2c1=O)N(C1CC1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C21H19N3O2/c25-20-17(13-22-19-7-3-4-12-23(19)20)21(26)24(15-9-10-15)18-11-8-14-5-1-2-6-16(14)18/h1-7,12-13,15,18H,8-11H2/t18-/m1/s1
InChIKeyKFBMUDVHSUMEJA-GOSISDBHSA-N
MW345.40 g/mol
LogP2.99
Rot. Bonds3

About N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 94809213) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID94809213
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(c1cnc2ccccn2c1=O)N(C1CC1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C21H19N3O2/c25-20-17(13-22-19-7-3-4-12-23(19)20)21(26)24(15-9-10-15)18-11-8-14-5-1-2-6-16(14)18/h1-7,12-13,15,18H,8-11H2/t18-/m1/s1
InChIKeyKFBMUDVHSUMEJA-GOSISDBHSA-N
XLogP2.99
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99440805
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94018219
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94018218
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71936957
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 95156658
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115771474
3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612977

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 94809213) is N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(c1cnc2ccccn2c1=O)N(C1CC1)[C@@H]1CCc2ccccc21.
What is the InChIKey of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KFBMUDVHSUMEJA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20-17(13-22-19-7-3-4-12-23(19)20)21(26)24(15-9-10-15)18-11-8-14-5-1-2-6-16(14)18/h1-7,12-13,15,18H,8-11H2/t18-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 94809213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).