N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride

C13H19Cl2N5O — CID 119584534

IUPACN-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)c1ccc(-n2ccnc2)nc1.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-10(7-14)17(2)13(19)11-3-4-12(16-8-11)18-6-5-15-9-18;;/h3-6,8-10H,7,14H2,1-2H3;2*1H
InChIKeyQABXNDQDKKAJIV-UHFFFAOYSA-N
MW332.24 g/mol
LogP1.53
Rot. Bonds4

About N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride

N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119584534) has the molecular formula C13H19Cl2N5O and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride
PubChem CID119584534
Molecular FormulaC13H19Cl2N5O
Molecular Weight332.24 g/mol
Exact Mass331.10
IUPAC NameN-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)c1ccc(-n2ccnc2)nc1.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-10(7-14)17(2)13(19)11-3-4-12(16-8-11)18-6-5-15-9-18;;/h3-6,8-10H,7,14H2,1-2H3;2*1H
InChIKeyQABXNDQDKKAJIV-UHFFFAOYSA-N
XLogP1.53
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride (CID 119584534) is N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride is CC(CN)N(C)C(=O)c1ccc(-n2ccnc2)nc1.Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is QABXNDQDKKAJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.2ClH/c1-10(7-14)17(2)13(19)11-3-4-12(16-8-11)18-6-5-15-9-18;;/h3-6,8-10H,7,14H2,1-2H3;2*1H.
What are the key properties of N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride?
N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 332.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119584534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).