7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H16ClN3O3 — CID 167839682

IUPAC7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCc2cc(O)ccc21)c1cnc2ccc(Cl)cn2c1=O
InChIInChI=1S/C19H16ClN3O3/c20-12-4-7-17-21-9-15(19(26)23(17)10-12)18(25)22-16-3-1-2-11-8-13(24)5-6-14(11)16/h4-10,16,24H,1-3H2,(H,22,25)
InChIKeyVJIPVBVRSHBLPV-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.86
Rot. Bonds2

About 7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 167839682) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID167839682
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCc2cc(O)ccc21)c1cnc2ccc(Cl)cn2c1=O
InChIInChI=1S/C19H16ClN3O3/c20-12-4-7-17-21-9-15(19(26)23(17)10-12)18(25)22-16-3-1-2-11-8-13(24)5-6-14(11)16/h4-10,16,24H,1-3H2,(H,22,25)
InChIKeyVJIPVBVRSHBLPV-UHFFFAOYSA-N
XLogP2.86
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92815614
4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 97429752
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
N-(5-chloro-2-methylphenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878752
6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide
CID 43888733
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 96548697
3-chloro-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
CID 138509822
6-(3,5-dichlorophenyl)sulfanyl-4-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 167110546

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 167839682) is 7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCCc2cc(O)ccc21)c1cnc2ccc(Cl)cn2c1=O.
What is the InChIKey of 7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VJIPVBVRSHBLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c20-12-4-7-17-21-9-15(19(26)23(17)10-12)18(25)22-16-3-1-2-11-8-13(24)5-6-14(11)16/h4-10,16,24H,1-3H2,(H,22,25).
What are the key properties of 7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167839682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).