4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride

C16H21Cl2N3O — CID 119854176

IUPAC4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C16H19N3O.2ClH/c17-10-4-7-15(20)19-16(13-5-2-1-3-6-13)14-8-11-18-12-9-14;;/h1-3,5-6,8-9,11-12,16H,4,7,10,17H2,(H,19,20);2*1H
InChIKeyPOUNDQZRABMRHF-UHFFFAOYSA-N
MW342.27 g/mol
LogP2.87
Rot. Bonds6

About 4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride

4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride (PubChem CID 119854176) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
PubChem CID119854176
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C16H19N3O.2ClH/c17-10-4-7-15(20)19-16(13-5-2-1-3-6-13)14-8-11-18-12-9-14;;/h1-3,5-6,8-9,11-12,16H,4,7,10,17H2,(H,19,20);2*1H
InChIKeyPOUNDQZRABMRHF-UHFFFAOYSA-N
XLogP2.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate
CID 44765105
3-(3,4-difluorophenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 86929443
methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
3-(4-tert-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 60592502
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60521938
N'-benzhydrylpentanediamide;2,2,2-trifluoroacetic acid
CID 175840511
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 166301428
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
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N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide
CID 108867513

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride (CID 119854176) is 4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride is Cl.Cl.NCCCC(=O)NC(c1ccccc1)c1ccncc1.
What is the InChIKey of 4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride?
The InChIKey is POUNDQZRABMRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.2ClH/c17-10-4-7-15(20)19-16(13-5-2-1-3-6-13)14-8-11-18-12-9-14;;/h1-3,5-6,8-9,11-12,16H,4,7,10,17H2,(H,19,20);2*1H.
What are the key properties of 4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride?
4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride has a molecular weight of 342.27 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119854176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).