N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide

C12H16ClN3O — CID 113357176

IUPACN-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)ccn2)CCCNC1
InChIInChI=1S/C12H16ClN3O/c1-12(4-2-5-14-8-12)11(17)16-10-7-9(13)3-6-15-10/h3,6-7,14H,2,4-5,8H2,1H3,(H,15,16,17)
InChIKeyZZFYRDYDNULCDA-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.06
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide

N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide (PubChem CID 113357176) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide
PubChem CID113357176
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)ccn2)CCCNC1
InChIInChI=1S/C12H16ClN3O/c1-12(4-2-5-14-8-12)11(17)16-10-7-9(13)3-6-15-10/h3,6-7,14H,2,4-5,8H2,1H3,(H,15,16,17)
InChIKeyZZFYRDYDNULCDA-UHFFFAOYSA-N
XLogP2.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide (CID 113357176) is N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)Nc2cc(Cl)ccn2)CCCNC1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is ZZFYRDYDNULCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-12(4-2-5-14-8-12)11(17)16-10-7-9(13)3-6-15-10/h3,6-7,14H,2,4-5,8H2,1H3,(H,15,16,17).
What are the key properties of N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide?
N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 113357176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).