5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide

C21H30N6O2 — CID 78107237

IUPAC5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1nc(Nc2cc(NC3CCCCC3N)cnc2C(N)=O)ccc1OC(C)C
InChIInChI=1S/C21H30N6O2/c1-12(2)29-18-8-9-19(25-13(18)3)27-17-10-14(11-24-20(17)21(23)28)26-16-7-5-4-6-15(16)22/h8-12,15-16,26H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)
InChIKeyQAPZILGTGWPYKI-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.10
Rot. Bonds7

About 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide

5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 78107237) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide
PubChem CID78107237
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide
SMILESCc1nc(Nc2cc(NC3CCCCC3N)cnc2C(N)=O)ccc1OC(C)C
InChIInChI=1S/C21H30N6O2/c1-12(2)29-18-8-9-19(25-13(18)3)27-17-10-14(11-24-20(17)21(23)28)26-16-7-5-4-6-15(16)22/h8-12,15-16,26H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27)
InChIKeyQAPZILGTGWPYKI-UHFFFAOYSA-N
XLogP3.10
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide (CID 78107237) is 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide is Cc1nc(Nc2cc(NC3CCCCC3N)cnc2C(N)=O)ccc1OC(C)C.
What is the InChIKey of 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
The InChIKey is QAPZILGTGWPYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-12(2)29-18-8-9-19(25-13(18)3)27-17-10-14(11-24-20(17)21(23)28)26-16-7-5-4-6-15(16)22/h8-12,15-16,26H,4-7,22H2,1-3H3,(H2,23,28)(H,25,27).
What are the key properties of 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide?
5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.10, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-5-propan-2-yloxy-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 78107237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).