N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide

C22H27ClN4O2 — CID 56555861

IUPACN-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1ncc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-26(16-17-8-4-2-5-9-17)20(28)10-11-24-21-19(23)14-18(15-25-21)22(29)27-12-6-3-7-13-27/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3,(H,24,25)
InChIKeyLLDCNSJFSIXQMS-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.82
Rot. Bonds7

About N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide

N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide (PubChem CID 56555861) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide
PubChem CID56555861
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1ncc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-26(16-17-8-4-2-5-9-17)20(28)10-11-24-21-19(23)14-18(15-25-21)22(29)27-12-6-3-7-13-27/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3,(H,24,25)
InChIKeyLLDCNSJFSIXQMS-UHFFFAOYSA-N
XLogP3.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270733
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270752
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
CID 133271009
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
N-[2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide
CID 60561707
[5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133346754
N-benzyl-N-methyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843335
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide (CID 56555861) is N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCNc1ncc(C(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide?
The InChIKey is LLDCNSJFSIXQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-26(16-17-8-4-2-5-9-17)20(28)10-11-24-21-19(23)14-18(15-25-21)22(29)27-12-6-3-7-13-27/h2,4-5,8-9,14-15H,3,6-7,10-13,16H2,1H3,(H,24,25).
What are the key properties of N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide?
N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide has a molecular weight of 414.94 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide is sourced from PubChem (CID 56555861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).