2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride

C13H19Cl2N5O — CID 119842771

IUPAC2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(-n2cccn2)nc1.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-10(8-14-2)13(19)17-11-4-5-12(15-9-11)18-7-3-6-16-18;;/h3-7,9-10,14H,8H2,1-2H3,(H,17,19);2*1H
InChIKeyBBZXTAZNCBKRBV-UHFFFAOYSA-N
MW332.24 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride (PubChem CID 119842771) has the molecular formula C13H19Cl2N5O and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
PubChem CID119842771
Molecular FormulaC13H19Cl2N5O
Molecular Weight332.24 g/mol
Exact Mass331.10
IUPAC Name2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(-n2cccn2)nc1.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-10(8-14-2)13(19)17-11-4-5-12(15-9-11)18-7-3-6-16-18;;/h3-7,9-10,14H,8H2,1-2H3,(H,17,19);2*1H
InChIKeyBBZXTAZNCBKRBV-UHFFFAOYSA-N
XLogP1.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 38951277
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
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2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183
N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 81489773
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
1-[3-hydroxy-2-(hydroxymethyl)propyl]-1-methyl-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 154787168

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride (CID 119842771) is 2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1ccc(-n2cccn2)nc1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride?
The InChIKey is BBZXTAZNCBKRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.2ClH/c1-10(8-14-2)13(19)17-11-4-5-12(15-9-11)18-7-3-6-16-18;;/h3-7,9-10,14H,8H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride has a molecular weight of 332.24 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride is sourced from PubChem (CID 119842771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).