5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide

C18H24N6O2 — CID 123376862

IUPAC5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide
SMILESCc1cc(=O)cc(Nc2cc(NC3CCCCC3N)cnc2C(N)=O)[nH]1
InChIInChI=1S/C18H24N6O2/c1-10-6-12(25)8-16(22-10)24-15-7-11(9-21-17(15)18(20)26)23-14-5-3-2-4-13(14)19/h6-9,13-14,23H,2-5,19H2,1H3,(H2,20,26)(H2,22,24,25)
InChIKeyPSTXAULROJVQNC-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.60
Rot. Bonds5

About 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide

5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide (PubChem CID 123376862) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide
PubChem CID123376862
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide
SMILESCc1cc(=O)cc(Nc2cc(NC3CCCCC3N)cnc2C(N)=O)[nH]1
InChIInChI=1S/C18H24N6O2/c1-10-6-12(25)8-16(22-10)24-15-7-11(9-21-17(15)18(20)26)23-14-5-3-2-4-13(14)19/h6-9,13-14,23H,2-5,19H2,1H3,(H2,20,26)(H2,22,24,25)
InChIKeyPSTXAULROJVQNC-UHFFFAOYSA-N
XLogP1.60
TPSA138.92 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide (CID 123376862) is 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide is Cc1cc(=O)cc(Nc2cc(NC3CCCCC3N)cnc2C(N)=O)[nH]1.
What is the InChIKey of 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide?
The InChIKey is PSTXAULROJVQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-10-6-12(25)8-16(22-10)24-15-7-11(9-21-17(15)18(20)26)23-14-5-3-2-4-13(14)19/h6-9,13-14,23H,2-5,19H2,1H3,(H2,20,26)(H2,22,24,25).
What are the key properties of 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide?
5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 123376862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).