1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid

C18H17Cl2N3O3 — CID 67344796

IUPAC1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(Nc1cc(Cl)cnc1N1CCC(C(=O)O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O3/c19-13-3-1-2-12(8-13)17(24)22-15-9-14(20)10-21-16(15)23-6-4-11(5-7-23)18(25)26/h1-3,8-11H,4-7H2,(H,22,24)(H,25,26)
InChIKeyMHIHKTMXVIZBOD-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.94
Rot. Bonds4

About 1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid

1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 67344796) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is 1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID67344796
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Name1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(Nc1cc(Cl)cnc1N1CCC(C(=O)O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O3/c19-13-3-1-2-12(8-13)17(24)22-15-9-14(20)10-21-16(15)23-6-4-11(5-7-23)18(25)26/h1-3,8-11H,4-7H2,(H,22,24)(H,25,26)
InChIKeyMHIHKTMXVIZBOD-UHFFFAOYSA-N
XLogP3.94
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307301
3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 67341438
3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 159708927
3-chloro-N-[5-chloro-2-[4-[2-(4-formyl-1,4-diazepan-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 87363267
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 67322741
3-chloro-N-[5-methylsulfonyl-2-[4-[(4S)-2-oxo-4-phenylpentyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 158313477
5-[(3-chlorobenzoyl)amino]-N-cyclopropyl-6-[4-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 67344639
2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53094502
3-chloro-N-[2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 67341898
3-chloro-N-[2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-5-pyridin-3-yl-3-pyridinyl]benzamide
CID 67341091
3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 77270238

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid (CID 67344796) is 1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid is O=C(Nc1cc(Cl)cnc1N1CCC(C(=O)O)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is MHIHKTMXVIZBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c19-13-3-1-2-12(8-13)17(24)22-15-9-14(20)10-21-16(15)23-6-4-11(5-7-23)18(25)26/h1-3,8-11H,4-7H2,(H,22,24)(H,25,26).
What are the key properties of 1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid?
1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 394.26 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 67344796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).