2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide

C14H15ClN4O — CID 79841121

IUPAC2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccc(N)cc1)c1ccncc1Cl
InChIInChI=1S/C14H15ClN4O/c15-12-7-18-6-5-13(12)19(9-14(17)20)8-10-1-3-11(16)4-2-10/h1-7H,8-9,16H2,(H2,17,20)
InChIKeyKRZPDKWSZOODAV-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.81
Rot. Bonds5

About 2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide

2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide (PubChem CID 79841121) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide
PubChem CID79841121
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccc(N)cc1)c1ccncc1Cl
InChIInChI=1S/C14H15ClN4O/c15-12-7-18-6-5-13(12)19(9-14(17)20)8-10-1-3-11(16)4-2-10/h1-7H,8-9,16H2,(H2,17,20)
InChIKeyKRZPDKWSZOODAV-UHFFFAOYSA-N
XLogP1.81
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine
CID 79840541
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114
2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide
CID 80515581
2-[(4-aminophenyl)methyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 60876095
2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide
CID 106948039
3-[(3-chloro-4-pyridinyl)-ethylamino]propanethioamide
CID 79841086
2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide
CID 60875913
3-[(3-chloro-4-pyridinyl)-(pyridin-3-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 79835452
4-(dibenzylamino)pyridine-3-carboxylic acid
CID 130163001
4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479
3-[(3-chloro-4-pyridinyl)-ethylamino]-2-methylpropanethioamide
CID 79841085
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide (CID 79841121) is 2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide is NC(=O)CN(Cc1ccc(N)cc1)c1ccncc1Cl.
What is the InChIKey of 2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide?
The InChIKey is KRZPDKWSZOODAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-12-7-18-6-5-13(12)19(9-14(17)20)8-10-1-3-11(16)4-2-10/h1-7H,8-9,16H2,(H2,17,20).
What are the key properties of 2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide?
2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide has a molecular weight of 290.75 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide is sourced from PubChem (CID 79841121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).