N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride

C15H23Cl2N5O — CID 119498289

IUPACN-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCC(C)N)cn2)n1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-10(16)6-7-17-15(21)13-4-5-14(18-9-13)20-12(3)8-11(2)19-20;;/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,21);2*1H
InChIKeyVNOSLBDNAUQRRI-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.19
Rot. Bonds5

About N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride

N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119498289) has the molecular formula C15H23Cl2N5O and a molecular weight of 360.29 g/mol. Its IUPAC name is N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119498289
Molecular FormulaC15H23Cl2N5O
Molecular Weight360.29 g/mol
Exact Mass359.13
IUPAC NameN-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCC(C)N)cn2)n1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-10(16)6-7-17-15(21)13-4-5-14(18-9-13)20-12(3)8-11(2)19-20;;/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,21);2*1H
InChIKeyVNOSLBDNAUQRRI-UHFFFAOYSA-N
XLogP2.19
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119499461
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CID 120827441
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119499692
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
4-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pentanamide;dihydrochloride
CID 120564625
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 86980602
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide
CID 95629528
6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513330
tert-butyl N-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamate
CID 86956679
propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644847
2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 60609646

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride (CID 119498289) is N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride is Cc1cc(C)n(-c2ccc(C(=O)NCCC(C)N)cn2)n1.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is VNOSLBDNAUQRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2ClH/c1-10(16)6-7-17-15(21)13-4-5-14(18-9-13)20-12(3)8-11(2)19-20;;/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,21);2*1H.
What are the key properties of N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride?
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119498289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).