6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride

C17H24Cl2N4O — CID 86814402

IUPAC6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1nc(CN)ccc1C(=O)NC(c1ccccn1)C(C)C.Cl.Cl
InChIInChI=1S/C17H22N4O.2ClH/c1-11(2)16(15-6-4-5-9-19-15)21-17(22)14-8-7-13(10-18)20-12(14)3;;/h4-9,11,16H,10,18H2,1-3H3,(H,21,22);2*1H
InChIKeyBZIDHGHEAOWOER-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.21
Rot. Bonds5

About 6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride

6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 86814402) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID86814402
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC Name6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1nc(CN)ccc1C(=O)NC(c1ccccn1)C(C)C.Cl.Cl
InChIInChI=1S/C17H22N4O.2ClH/c1-11(2)16(15-6-4-5-9-19-15)21-17(22)14-8-7-13(10-18)20-12(14)3;;/h4-9,11,16H,10,18H2,1-3H3,(H,21,22);2*1H
InChIKeyBZIDHGHEAOWOER-UHFFFAOYSA-N
XLogP3.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide
CID 95981391
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea
CID 71989931
6-(aminomethyl)-2-methylpyridine-3-carboxamide;hydrochloride
CID 130677919
1-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)imidazo[2,1-e]pyrazole-7-carboxamide
CID 50969158
3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide
CID 125442338
5-methoxy-N-(2-methyl-1-pyridin-2-ylpropyl)furan-2-carboxamide
CID 91790024
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97079268
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 120508416
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]oxolane-2-carboxamide
CID 96504930
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride (CID 86814402) is 6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride is Cc1nc(CN)ccc1C(=O)NC(c1ccccn1)C(C)C.Cl.Cl.
What is the InChIKey of 6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is BZIDHGHEAOWOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.2ClH/c1-11(2)16(15-6-4-5-9-19-15)21-17(22)14-8-7-13(10-18)20-12(14)3;;/h4-9,11,16H,10,18H2,1-3H3,(H,21,22);2*1H.
What are the key properties of 6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride?
6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 86814402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).