2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide

C26H29N7O — CID 138525694

IUPAC2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(NC4CCCCC4)nc3c2)n1
InChIInChI=1S/C26H29N7O/c1-17(2)33-16-27-32-25(33)21-9-6-10-23(29-21)31-26(34)19-12-11-18-13-14-24(30-22(18)15-19)28-20-7-4-3-5-8-20/h6,9-17,20H,3-5,7-8H2,1-2H3,(H,28,30)(H,29,31,34)
InChIKeyCHCAVSPDOYFYHF-UHFFFAOYSA-N
MW455.57 g/mol
LogP5.47
Rot. Bonds6

About 2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide

2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide (PubChem CID 138525694) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
PubChem CID138525694
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(NC4CCCCC4)nc3c2)n1
InChIInChI=1S/C26H29N7O/c1-17(2)33-16-27-32-25(33)21-9-6-10-23(29-21)31-26(34)19-12-11-18-13-14-24(30-22(18)15-19)28-20-7-4-3-5-8-20/h6,9-17,20H,3-5,7-8H2,1-2H3,(H,28,30)(H,29,31,34)
InChIKeyCHCAVSPDOYFYHF-UHFFFAOYSA-N
XLogP5.47
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.57
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide (CID 138525694) is 2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccc(NC4CCCCC4)nc3c2)n1.
What is the InChIKey of 2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
The InChIKey is CHCAVSPDOYFYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-17(2)33-16-27-32-25(33)21-9-6-10-23(29-21)31-26(34)19-12-11-18-13-14-24(30-22(18)15-19)28-20-7-4-3-5-8-20/h6,9-17,20H,3-5,7-8H2,1-2H3,(H,28,30)(H,29,31,34).
What are the key properties of 2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide?
2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide has a molecular weight of 455.57 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide is sourced from PubChem (CID 138525694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).