2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride

C16H22Cl2N4O — CID 119854549

IUPAC2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCCCNc2ccccn2)cc1
InChIInChI=1S/C16H20N4O.2ClH/c17-14-7-5-13(6-8-14)12-16(21)20-11-3-10-19-15-4-1-2-9-18-15;;/h1-2,4-9H,3,10-12,17H2,(H,18,19)(H,20,21);2*1H
InChIKeyYHKNXZMRAWNBNP-UHFFFAOYSA-N
MW357.28 g/mol
LogP2.67
Rot. Bonds7

About 2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride (PubChem CID 119854549) has the molecular formula C16H22Cl2N4O and a molecular weight of 357.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
PubChem CID119854549
Molecular FormulaC16H22Cl2N4O
Molecular Weight357.28 g/mol
Exact Mass356.12
IUPAC Name2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCCCNc2ccccn2)cc1
InChIInChI=1S/C16H20N4O.2ClH/c17-14-7-5-13(6-8-14)12-16(21)20-11-3-10-19-15-4-1-2-9-18-15;;/h1-2,4-9H,3,10-12,17H2,(H,18,19)(H,20,21);2*1H
InChIKeyYHKNXZMRAWNBNP-UHFFFAOYSA-N
XLogP2.67
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride
CID 119874666
N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2-phenylacetamide
CID 82331463
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854577
tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
CID 104932589
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
CID 119874722
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123
2-(pyridin-2-ylamino)ethyl 2-phenylacetate
CID 58460517
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284
2-benzyl-1-[3-(pyridin-2-ylamino)propyl]guanidine
CID 51131507
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride (CID 119854549) is 2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)NCCCNc2ccccn2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride?
The InChIKey is YHKNXZMRAWNBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.2ClH/c17-14-7-5-13(6-8-14)12-16(21)20-11-3-10-19-15-4-1-2-9-18-15;;/h1-2,4-9H,3,10-12,17H2,(H,18,19)(H,20,21);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride has a molecular weight of 357.28 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride is sourced from PubChem (CID 119854549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).