N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride

C22H32Cl2N4O2 — CID 119657591

IUPACN-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C22H30N4O2.2ClH/c1-16(2)19(23)11-13-26(3)22(28)20(14-17-8-5-4-6-9-17)25-21(27)18-10-7-12-24-15-18;;/h4-10,12,15-16,19-20H,11,13-14,23H2,1-3H3,(H,25,27);2*1H
InChIKeyJRQXVIGVDZWTES-UHFFFAOYSA-N
MW455.43 g/mol
LogP3.10
Rot. Bonds9

About N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride

N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119657591) has the molecular formula C22H32Cl2N4O2 and a molecular weight of 455.43 g/mol. Its IUPAC name is N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119657591
Molecular FormulaC22H32Cl2N4O2
Molecular Weight455.43 g/mol
Exact Mass454.19
IUPAC NameN-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C22H30N4O2.2ClH/c1-16(2)19(23)11-13-26(3)22(28)20(14-17-8-5-4-6-9-17)25-21(27)18-10-7-12-24-15-18;;/h4-10,12,15-16,19-20H,11,13-14,23H2,1-3H3,(H,25,27);2*1H
InChIKeyJRQXVIGVDZWTES-UHFFFAOYSA-N
XLogP3.10
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[(1-ethylpyrrol-3-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 124848155
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119626077
N-[1-(1-aminohexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119665124
N-[1-[3-(methylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119429792
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355
N-[1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]pyridine-3-carboxamide
CID 172719109
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119474703
N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 42534610
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612
methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
CID 67326276

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride (CID 119657591) is N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride is CC(C)C(N)CCN(C)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cl.Cl.
What is the InChIKey of N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is JRQXVIGVDZWTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2.2ClH/c1-16(2)19(23)11-13-26(3)22(28)20(14-17-8-5-4-6-9-17)25-21(27)18-10-7-12-24-15-18;;/h4-10,12,15-16,19-20H,11,13-14,23H2,1-3H3,(H,25,27);2*1H.
What are the key properties of N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 455.43 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119657591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).