3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride

C16H22Cl2N6O — CID 45255794

IUPAC3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride
SMILESCc1ccncc1NC(=O)c1nc(Cl)c(N(C)CC(C)C)nc1N.Cl
InChIInChI=1S/C16H21ClN6O.ClH/c1-9(2)8-23(4)15-13(17)21-12(14(18)22-15)16(24)20-11-7-19-6-5-10(11)3;/h5-7,9H,8H2,1-4H3,(H2,18,22)(H,20,24);1H
InChIKeyYBPHPAJXKSWQGD-UHFFFAOYSA-N
MW385.30 g/mol
LogP3.18
Rot. Bonds5

About 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride

3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride (PubChem CID 45255794) has the molecular formula C16H22Cl2N6O and a molecular weight of 385.30 g/mol. Its IUPAC name is 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride
PubChem CID45255794
Molecular FormulaC16H22Cl2N6O
Molecular Weight385.30 g/mol
Exact Mass384.12
IUPAC Name3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride
SMILESCc1ccncc1NC(=O)c1nc(Cl)c(N(C)CC(C)C)nc1N.Cl
InChIInChI=1S/C16H21ClN6O.ClH/c1-9(2)8-23(4)15-13(17)21-12(14(18)22-15)16(24)20-11-7-19-6-5-10(11)3;/h5-7,9H,8H2,1-4H3,(H2,18,22)(H,20,24);1H
InChIKeyYBPHPAJXKSWQGD-UHFFFAOYSA-N
XLogP3.18
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-pyridin-4-ylpyrazine-2-carboxamide
CID 45255801
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide
CID 45254967
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 45255602
methyl 3-[[3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carbonyl]amino]benzoate;2,2,2-trifluoroacetic acid
CID 87387276
3-amino-6-chloro-N-cyclohexyl-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 45255607
6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63327625
5-amino-2-chloro-N-(4-methyl-3-pyridinyl)benzamide
CID 55202646
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
(2S)-2-amino-4-methyl-N-(4-methyl-3-pyridinyl)pentanamide
CID 63327835
3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 120503193
5-fluoro-6-methyl-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 146080352
5-(3-methylbutylamino)-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67404827

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride (CID 45255794) is 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride is Cc1ccncc1NC(=O)c1nc(Cl)c(N(C)CC(C)C)nc1N.Cl.
What is the InChIKey of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is YBPHPAJXKSWQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O.ClH/c1-9(2)8-23(4)15-13(17)21-12(14(18)22-15)16(24)20-11-7-19-6-5-10(11)3;/h5-7,9H,8H2,1-4H3,(H2,18,22)(H,20,24);1H.
What are the key properties of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride?
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 385.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(4-methyl-3-pyridinyl)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 45255794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).