4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide

C17H20ClN3O2 — CID 120597413

IUPAC4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C17H20ClN3O2/c1-23-14(11-19)10-16(22)21-17(15-7-2-3-8-20-15)12-5-4-6-13(18)9-12/h2-9,14,17H,10-11,19H2,1H3,(H,21,22)
InChIKeyFCUYIIRNLLDKAI-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.30
Rot. Bonds7

About 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide

4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide (PubChem CID 120597413) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
PubChem CID120597413
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C17H20ClN3O2/c1-23-14(11-19)10-16(22)21-17(15-7-2-3-8-20-15)12-5-4-6-13(18)9-12/h2-9,14,17H,10-11,19H2,1H3,(H,21,22)
InChIKeyFCUYIIRNLLDKAI-UHFFFAOYSA-N
XLogP2.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide 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

4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021
4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
CID 103156393
4-amino-N-[bis(3-methylphenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593754
N-[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 97084688
2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide
CID 96542751
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
2-(3-chlorophenyl)-2-pyridin-2-ylethanamine
CID 75357398
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066368
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide (CID 120597413) is 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide is COC(CN)CC(=O)NC(c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide?
The InChIKey is FCUYIIRNLLDKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-23-14(11-19)10-16(22)21-17(15-7-2-3-8-20-15)12-5-4-6-13(18)9-12/h2-9,14,17H,10-11,19H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide?
4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide has a molecular weight of 333.82 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide is sourced from PubChem (CID 120597413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).