N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide

C17H18Cl2N4O — CID 55816155

IUPACN-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(Cc2ccc(Cl)nc2)C1
InChIInChI=1S/C17H18Cl2N4O/c18-14-4-6-16(21-9-14)22-17(24)13-2-1-7-23(11-13)10-12-3-5-15(19)20-8-12/h3-6,8-9,13H,1-2,7,10-11H2,(H,21,22,24)
InChIKeyMMSPYHHZDMRDOF-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.63
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 55816155) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID55816155
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(Cc2ccc(Cl)nc2)C1
InChIInChI=1S/C17H18Cl2N4O/c18-14-4-6-16(21-9-14)22-17(24)13-2-1-7-23(11-13)10-12-3-5-15(19)20-8-12/h3-6,8-9,13H,1-2,7,10-11H2,(H,21,22,24)
InChIKeyMMSPYHHZDMRDOF-UHFFFAOYSA-N
XLogP3.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
methyl 1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 78920357
methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 55816186
N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55995028
(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 95339286
1-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylpiperidine-3-carboxamide
CID 103198148
1-[(1-butyltetrazol-5-yl)methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55995286
N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide
CID 56525542
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-3-carboxamide
CID 55860839

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide (CID 55816155) is N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(Cc2ccc(Cl)nc2)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is MMSPYHHZDMRDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c18-14-4-6-16(21-9-14)22-17(24)13-2-1-7-23(11-13)10-12-3-5-15(19)20-8-12/h3-6,8-9,13H,1-2,7,10-11H2,(H,21,22,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55816155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).