N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide

C16H24ClN3O — CID 97208737

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide
SMILESCN1CCC[C@@H](CCC(=O)N(C)Cc2ccc(Cl)nc2)C1
InChIInChI=1S/C16H24ClN3O/c1-19-9-3-4-13(11-19)6-8-16(21)20(2)12-14-5-7-15(17)18-10-14/h5,7,10,13H,3-4,6,8-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyNSUDPFQSBLJDSB-ZDUSSCGKSA-N
MW309.84 g/mol
LogP2.82
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide

N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide (PubChem CID 97208737) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide
PubChem CID97208737
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide
SMILESCN1CCC[C@@H](CCC(=O)N(C)Cc2ccc(Cl)nc2)C1
InChIInChI=1S/C16H24ClN3O/c1-19-9-3-4-13(11-19)6-8-16(21)20(2)12-14-5-7-15(17)18-10-14/h5,7,10,13H,3-4,6,8-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyNSUDPFQSBLJDSB-ZDUSSCGKSA-N
XLogP2.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.82
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

N-methyl-3-(1-methylpiperidin-3-yl)propanehydrazide
CID 116845050
N-methyl-3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 72904220
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 72862945
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide
CID 43458114
1-[(4S)-4-[(6-chloro-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 95804799
N-[(6-chloro-3-pyridinyl)methyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-methylacetamide
CID 98404984
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 97190017
(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide
CID 97348392
N-benzyl-3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-methylpropanamide
CID 95103044
3-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 56746231
tert-butyl (3R)-3-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97167658

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide (CID 97208737) is N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide is CN1CCC[C@@H](CCC(=O)N(C)Cc2ccc(Cl)nc2)C1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
The InChIKey is NSUDPFQSBLJDSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-19-9-3-4-13(11-19)6-8-16(21)20(2)12-14-5-7-15(17)18-10-14/h5,7,10,13H,3-4,6,8-9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide has a molecular weight of 309.84 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-3-[(3S)-1-methylpiperidin-3-yl]propanamide is sourced from PubChem (CID 97208737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).