5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide

C17H24N6O3S — CID 118733349

IUPAC5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(NC[C@@H](N)CS(C)(=O)=O)cnc2C(N)=O)c1
InChIInChI=1S/C17H24N6O3S/c1-10-4-11(2)22-15(5-10)23-14-6-13(8-21-16(14)17(19)24)20-7-12(18)9-27(3,25)26/h4-6,8,12,20H,7,9,18H2,1-3H3,(H2,19,24)(H,22,23)/t12-/m1/s1
InChIKeyLQOICNDBWYGHPJ-GFCCVEGCSA-N
MW392.49 g/mol
LogP0.72
Rot. Bonds8

About 5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide

5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 118733349) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is 5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
PubChem CID118733349
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC Name5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1cc(C)nc(Nc2cc(NC[C@@H](N)CS(C)(=O)=O)cnc2C(N)=O)c1
InChIInChI=1S/C17H24N6O3S/c1-10-4-11(2)22-15(5-10)23-14-6-13(8-21-16(14)17(19)24)20-7-12(18)9-27(3,25)26/h4-6,8,12,20H,7,9,18H2,1-3H3,(H2,19,24)(H,22,23)/t12-/m1/s1
InChIKeyLQOICNDBWYGHPJ-GFCCVEGCSA-N
XLogP0.72
TPSA153.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide (CID 118733349) is 5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide is Cc1cc(C)nc(Nc2cc(NC[C@@H](N)CS(C)(=O)=O)cnc2C(N)=O)c1.
What is the InChIKey of 5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
The InChIKey is LQOICNDBWYGHPJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-10-4-11(2)22-15(5-10)23-14-6-13(8-21-16(14)17(19)24)20-7-12(18)9-27(3,25)26/h4-6,8,12,20H,7,9,18H2,1-3H3,(H2,19,24)(H,22,23)/t12-/m1/s1.
What are the key properties of 5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide?
5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 0.72, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-amino-3-methylsulfonylpropyl]amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 118733349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).