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

C19H26Cl2N4O2 — CID 119626077

IUPACN-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C19H24N4O2.2ClH/c1-19(2,20)13-22-18(25)16(11-14-7-4-3-5-8-14)23-17(24)15-9-6-10-21-12-15;;/h3-10,12,16H,11,13,20H2,1-2H3,(H,22,25)(H,23,24);2*1H
InChIKeyVBZNJYSGOVLBLN-UHFFFAOYSA-N
MW413.35 g/mol
LogP2.12
Rot. Bonds7

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

N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119626077) has the molecular formula C19H26Cl2N4O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119626077
Molecular FormulaC19H26Cl2N4O2
Molecular Weight413.35 g/mol
Exact Mass412.14
IUPAC NameN-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C19H24N4O2.2ClH/c1-19(2,20)13-22-18(25)16(11-14-7-4-3-5-8-14)23-17(24)15-9-6-10-21-12-15;;/h3-10,12,16H,11,13,20H2,1-2H3,(H,22,25)(H,23,24);2*1H
InChIKeyVBZNJYSGOVLBLN-UHFFFAOYSA-N
XLogP2.12
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355
N-[1-[3-(methylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119429792
N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 42534610
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[1-(1-aminohexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119665124
N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119474703
3-[(2-benzamido-3-phenylpropanoyl)amino]-2,2-dimethylpropanoic acid
CID 119249422
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
CID 67326276
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119657591

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride (CID 119626077) is N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride is CC(C)(N)CNC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cl.Cl.
What is the InChIKey of N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is VBZNJYSGOVLBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.2ClH/c1-19(2,20)13-22-18(25)16(11-14-7-4-3-5-8-14)23-17(24)15-9-6-10-21-12-15;;/h3-10,12,16H,11,13,20H2,1-2H3,(H,22,25)(H,23,24);2*1H.
What are the key properties of N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride?
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 413.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119626077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).