5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid

C18H19ClN4O4 — CID 141193619

IUPAC5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1cccc(NC(=O)N2CCN(c3ncc(C(=O)O)cc3Cl)CC2)c1
InChIInChI=1S/C18H19ClN4O4/c1-27-14-4-2-3-13(10-14)21-18(26)23-7-5-22(6-8-23)16-15(19)9-12(11-20-16)17(24)25/h2-4,9-11H,5-8H2,1H3,(H,21,26)(H,24,25)
InChIKeyAZVOUVSDBZOINB-UHFFFAOYSA-N
MW390.83 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 141193619) has the molecular formula C18H19ClN4O4 and a molecular weight of 390.83 g/mol. Its IUPAC name is 5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID141193619
Molecular FormulaC18H19ClN4O4
Molecular Weight390.83 g/mol
Exact Mass390.11
IUPAC Name5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1cccc(NC(=O)N2CCN(c3ncc(C(=O)O)cc3Cl)CC2)c1
InChIInChI=1S/C18H19ClN4O4/c1-27-14-4-2-3-13(10-14)21-18(26)23-7-5-22(6-8-23)16-15(19)9-12(11-20-16)17(24)25/h2-4,9-11H,5-8H2,1H3,(H,21,26)(H,24,25)
InChIKeyAZVOUVSDBZOINB-UHFFFAOYSA-N
XLogP2.80
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Chloro-2-ethyl-9-methyl-13-(phenoxymethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470671
5-Chloro-2-ethyl-13-(4-hydroxyphenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470678
3-({5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}methoxy)benzoic acid
CID 470685
8-(3-Aminophenyloxy)methyl-2-chloro-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
CID 470687
2-(4-Methoxy-phenylamino)-nicotinic acid
CID 748369
2-(4-chloroanilino)-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586154
Ethyl 5-chloro-6-(4-{[(3-chlorophenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 23642329
Ethyl 5-chloro-6-(4-{[(3-methoxyphenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751711
Ethyl 5-chloro-6-(4-{[(3-methylphenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751850
Ethyl 5-chloro-6-(4-{[(4-chlorophenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751851
Ethyl 5-chloro-6-(4-{[(4-methylphenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751998
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-chloronicotinate
CID 54586076

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid (CID 141193619) is 5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid is COc1cccc(NC(=O)N2CCN(c3ncc(C(=O)O)cc3Cl)CC2)c1.
What is the InChIKey of 5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is AZVOUVSDBZOINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4/c1-27-14-4-2-3-13(10-14)21-18(26)23-7-5-22(6-8-23)16-15(19)9-12(11-20-16)17(24)25/h2-4,9-11H,5-8H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 390.83 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 141193619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).