3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

C21H27ClN4O — CID 45186154

IUPAC3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)CCC1CCCN(c2ncccc2Cl)C1
InChIInChI=1S/C21H27ClN4O/c1-25(15-11-18-7-2-3-12-23-18)20(27)10-9-17-6-5-14-26(16-17)21-19(22)8-4-13-24-21/h2-4,7-8,12-13,17H,5-6,9-11,14-16H2,1H3
InChIKeyJNFDWUPNSFRZKM-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.83
Rot. Bonds7

About 3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide

3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 45186154) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is 3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID45186154
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC Name3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)CCC1CCCN(c2ncccc2Cl)C1
InChIInChI=1S/C21H27ClN4O/c1-25(15-11-18-7-2-3-12-23-18)20(27)10-9-17-6-5-14-26(16-17)21-19(22)8-4-13-24-21/h2-4,7-8,12-13,17H,5-6,9-11,14-16H2,1H3
InChIKeyJNFDWUPNSFRZKM-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[1-(7H-purin-6-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 72853686
3-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 56746231
N-methyl-3-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 45248367
3-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 26401309
N-methyl-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 25289755
N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97282681
N-methyl-N-(2-pyridin-2-ylethyl)-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-3-yl]propanamide
CID 45232878
3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45218930
N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide
CID 26410200
N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97269848
N-methyl-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 45178210
3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 42194864

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide (CID 45186154) is 3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)CCC1CCCN(c2ncccc2Cl)C1.
What is the InChIKey of 3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is JNFDWUPNSFRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-25(15-11-18-7-2-3-12-23-18)20(27)10-9-17-6-5-14-26(16-17)21-19(22)8-4-13-24-21/h2-4,7-8,12-13,17H,5-6,9-11,14-16H2,1H3.
What are the key properties of 3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide?
3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 386.93 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 45186154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).