6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide

C24H22Cl2N6O3 — CID 59833333

IUPAC6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cn2)C1
InChIInChI=1S/C24H22Cl2N6O3/c25-16-4-6-19(18(10-16)24(35)31-20-7-5-17(26)12-28-20)30-23(34)14-3-8-21(29-11-14)32-9-1-2-15(13-32)22(27)33/h3-8,10-12,15H,1-2,9,13H2,(H2,27,33)(H,30,34)(H,28,31,35)
InChIKeyKLODBYBSFCNHHK-UHFFFAOYSA-N
MW513.39 g/mol
LogP3.99
Rot. Bonds6

About 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide

6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 59833333) has the molecular formula C24H22Cl2N6O3 and a molecular weight of 513.39 g/mol. Its IUPAC name is 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID59833333
Molecular FormulaC24H22Cl2N6O3
Molecular Weight513.39 g/mol
Exact Mass512.11
IUPAC Name6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cn2)C1
InChIInChI=1S/C24H22Cl2N6O3/c25-16-4-6-19(18(10-16)24(35)31-20-7-5-17(26)12-28-20)30-23(34)14-3-8-21(29-11-14)32-9-1-2-15(13-32)22(27)33/h3-8,10-12,15H,1-2,9,13H2,(H2,27,33)(H,30,34)(H,28,31,35)
InChIKeyKLODBYBSFCNHHK-UHFFFAOYSA-N
XLogP3.99
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.39
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 59108390
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 21075332
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]benzamide
CID 18727842
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
CID 63844432
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[(4-ethylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 142082750
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 10184349
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
6-pyrrolidin-1-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
CID 154735988
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10162145
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700759
N-(2,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152594

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 59833333) is 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide is NC(=O)C1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cn2)C1.
What is the InChIKey of 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is KLODBYBSFCNHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O3/c25-16-4-6-19(18(10-16)24(35)31-20-7-5-17(26)12-28-20)30-23(34)14-3-8-21(29-11-14)32-9-1-2-15(13-32)22(27)33/h3-8,10-12,15H,1-2,9,13H2,(H2,27,33)(H,30,34)(H,28,31,35).
What are the key properties of 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide?
6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 513.39 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 59833333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).