2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide

C15H22ClN3O — CID 61051848

IUPAC2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCCCN1CCC(N(C)C(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-3-9-19-10-6-12(7-11-19)18(2)15(20)13-5-4-8-17-14(13)16/h4-5,8,12H,3,6-7,9-11H2,1-2H3
InChIKeyDYROAILNBIGVPP-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide

2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 61051848) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID61051848
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCCCN1CCC(N(C)C(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-3-9-19-10-6-12(7-11-19)18(2)15(20)13-5-4-8-17-14(13)16/h4-5,8,12H,3,6-7,9-11H2,1-2H3
InChIKeyDYROAILNBIGVPP-UHFFFAOYSA-N
XLogP2.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051847
3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139109
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 4605115
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61138918
tert-butyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]piperidine-1-carboxylate
CID 66570109
2,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 61044792
N-methyl-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62165835
2-chloro-N-cyclohexyl-N-ethylpyridine-3-carboxamide
CID 18069572
2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 106993273
N-(1-ethylpiperidin-4-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55002979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide (CID 61051848) is 2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide is CCCN1CCC(N(C)C(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is DYROAILNBIGVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-9-19-10-6-12(7-11-19)18(2)15(20)13-5-4-8-17-14(13)16/h4-5,8,12H,3,6-7,9-11H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 61051848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).