N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide

C22H27ClN4O2 — CID 133271009

IUPACN-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)c1
InChIInChI=1S/C22H27ClN4O2/c1-2-7-20(28)26-18-9-6-8-16(12-18)14-24-21-19(23)13-17(15-25-21)22(29)27-10-4-3-5-11-27/h6,8-9,12-13,15H,2-5,7,10-11,14H2,1H3,(H,24,25)(H,26,28)
InChIKeyTXIMSUNDDCYVAB-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.71
Rot. Bonds7

About N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide

N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide (PubChem CID 133271009) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
PubChem CID133271009
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)c1
InChIInChI=1S/C22H27ClN4O2/c1-2-7-20(28)26-18-9-6-8-16(12-18)14-24-21-19(23)13-17(15-25-21)22(29)27-10-4-3-5-11-27/h6,8-9,12-13,15H,2-5,7,10-11,14H2,1H3,(H,24,25)(H,26,28)
InChIKeyTXIMSUNDDCYVAB-UHFFFAOYSA-N
XLogP4.71
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide 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-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
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-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999240
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide
CID 56555861
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide?
The IUPAC name of N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide (CID 133271009) is N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide.
What is the SMILES notation for N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide?
The canonical SMILES for N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide is CCCC(=O)Nc1cccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)c1.
What is the InChIKey of N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide?
The InChIKey is TXIMSUNDDCYVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-2-7-20(28)26-18-9-6-8-16(12-18)14-24-21-19(23)13-17(15-25-21)22(29)27-10-4-3-5-11-27/h6,8-9,12-13,15H,2-5,7,10-11,14H2,1H3,(H,24,25)(H,26,28).
What are the key properties of N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide?
N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide has a molecular weight of 414.94 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide is sourced from PubChem (CID 133271009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).