5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid

C19H21ClN4O5 — CID 141193590

IUPAC5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1cccc(OC)c1NC(=O)N1CCN(c2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C19H21ClN4O5/c1-28-14-4-3-5-15(29-2)16(14)22-19(27)24-8-6-23(7-9-24)17-13(20)10-12(11-21-17)18(25)26/h3-5,10-11H,6-9H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyDRKGVYFFCYSYJO-UHFFFAOYSA-N
MW420.85 g/mol
LogP2.80
Rot. Bonds5

About 5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 141193590) has the molecular formula C19H21ClN4O5 and a molecular weight of 420.85 g/mol. Its IUPAC name is 5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID141193590
Molecular FormulaC19H21ClN4O5
Molecular Weight420.85 g/mol
Exact Mass420.12
IUPAC Name5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCOc1cccc(OC)c1NC(=O)N1CCN(c2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C19H21ClN4O5/c1-28-14-4-3-5-15(29-2)16(14)22-19(27)24-8-6-23(7-9-24)17-13(20)10-12(11-21-17)18(25)26/h3-5,10-11H,6-9H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyDRKGVYFFCYSYJO-UHFFFAOYSA-N
XLogP2.80
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
5-chloro-6-[4-(2-methoxypyridine-4-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 138387802
4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide
CID 167764760
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 46652261
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527532
tert-butyl 4-(3-chloro-5-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 67401100
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993
[5-chloro-6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133450569
1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 46562493
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid (CID 141193590) is 5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid is COc1cccc(OC)c1NC(=O)N1CCN(c2ncc(C(=O)O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is DRKGVYFFCYSYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O5/c1-28-14-4-3-5-15(29-2)16(14)22-19(27)24-8-6-23(7-9-24)17-13(20)10-12(11-21-17)18(25)26/h3-5,10-11H,6-9H2,1-2H3,(H,22,27)(H,25,26).
What are the key properties of 5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 420.85 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(2,6-dimethoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 141193590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).