3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

C16H21ClN6O — CID 45255602

IUPAC3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCC(C)CN(C)c1nc(N)c(C(=O)NCc2cccnc2)nc1Cl
InChIInChI=1S/C16H21ClN6O/c1-10(2)9-23(3)15-13(17)21-12(14(18)22-15)16(24)20-8-11-5-4-6-19-7-11/h4-7,10H,8-9H2,1-3H3,(H2,18,22)(H,20,24)
InChIKeyCMMYCJIUSHNJDD-UHFFFAOYSA-N
MW348.84 g/mol
LogP2.13
Rot. Bonds6

About 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 45255602) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
PubChem CID45255602
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCC(C)CN(C)c1nc(N)c(C(=O)NCc2cccnc2)nc1Cl
InChIInChI=1S/C16H21ClN6O/c1-10(2)9-23(3)15-13(17)21-12(14(18)22-15)16(24)20-8-11-5-4-6-19-7-11/h4-7,10H,8-9H2,1-3H3,(H2,18,22)(H,20,24)
InChIKeyCMMYCJIUSHNJDD-UHFFFAOYSA-N
XLogP2.13
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62187059
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 121351154
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (CID 45255602) is 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is CC(C)CN(C)c1nc(N)c(C(=O)NCc2cccnc2)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is CMMYCJIUSHNJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-10(2)9-23(3)15-13(17)21-12(14(18)22-15)16(24)20-8-11-5-4-6-19-7-11/h4-7,10H,8-9H2,1-3H3,(H2,18,22)(H,20,24).
What are the key properties of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 348.84 g/mol, XLogP of 2.13, 6 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-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 45255602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).