2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide

C18H20ClN3O — CID 40922123

IUPAC2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide
SMILESC[C@H]1CCCCN1c1ccc(NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C18H20ClN3O/c1-13-5-2-3-12-22(13)15-9-7-14(8-10-15)21-18(23)16-6-4-11-20-17(16)19/h4,6-11,13H,2-3,5,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyQUGSKNPMFCIZNQ-ZDUSSCGKSA-N
MW329.83 g/mol
LogP4.37
Rot. Bonds3

About 2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide

2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 40922123) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID40922123
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide
SMILESC[C@H]1CCCCN1c1ccc(NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C18H20ClN3O/c1-13-5-2-3-12-22(13)15-9-7-14(8-10-15)21-18(23)16-6-4-11-20-17(16)19/h4,6-11,13H,2-3,5,12H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyQUGSKNPMFCIZNQ-ZDUSSCGKSA-N
XLogP4.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 60609243
2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78907835
2-methyl-N-[4-(2-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 17102844
N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 26018303
N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]naphthalene-2-carboxamide
CID 40922093
3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 17102832
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
2-iodo-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17116463
2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
3,5-dibromo-2-methoxy-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]benzamide
CID 40864687
4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 2996023
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 61041355

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide (CID 40922123) is 2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide is C[C@H]1CCCCN1c1ccc(NC(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is QUGSKNPMFCIZNQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-13-5-2-3-12-22(13)15-9-7-14(8-10-15)21-18(23)16-6-4-11-20-17(16)19/h4,6-11,13H,2-3,5,12H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of 2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide?
2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 40922123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).