3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide

C15H17ClN4O — CID 82034183

IUPAC3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide
SMILESNCCC(=O)Nc1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H17ClN4O/c16-12-3-1-11(2-4-12)9-18-13-5-6-14(19-10-13)20-15(21)7-8-17/h1-6,10,18H,7-9,17H2,(H,19,20,21)
InChIKeyYZXSOYIVRWHWRG-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.63
Rot. Bonds6

About 3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide

3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide (PubChem CID 82034183) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide
PubChem CID82034183
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide
SMILESNCCC(=O)Nc1ccc(NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H17ClN4O/c16-12-3-1-11(2-4-12)9-18-13-5-6-14(19-10-13)20-15(21)7-8-17/h1-6,10,18H,7-9,17H2,(H,19,20,21)
InChIKeyYZXSOYIVRWHWRG-UHFFFAOYSA-N
XLogP2.63
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
4-amino-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 39187538
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113027295
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
CID 113027296
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
3-chloro-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026717

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide?
The IUPAC name of 3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide (CID 82034183) is 3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide.
What is the SMILES notation for 3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide?
The canonical SMILES for 3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide is NCCC(=O)Nc1ccc(NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide?
The InChIKey is YZXSOYIVRWHWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-3-1-11(2-4-12)9-18-13-5-6-14(19-10-13)20-15(21)7-8-17/h1-6,10,18H,7-9,17H2,(H,19,20,21).
What are the key properties of 3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide?
3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide has a molecular weight of 304.78 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide is sourced from PubChem (CID 82034183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).