2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid

C22H22N4O2 — CID 67083636

IUPAC2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc(-c2ccnc(NC3CCCCC3)c2)c1
InChIInChI=1S/C22H22N4O2/c27-22(28)17-12-19(15-6-9-23-10-7-15)26-20(13-17)16-8-11-24-21(14-16)25-18-4-2-1-3-5-18/h6-14,18H,1-5H2,(H,24,25)(H,27,28)
InChIKeyXMNPGYCYVXOEEN-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.65
Rot. Bonds5

About 2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid

2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid (PubChem CID 67083636) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
PubChem CID67083636
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)nc(-c2ccnc(NC3CCCCC3)c2)c1
InChIInChI=1S/C22H22N4O2/c27-22(28)17-12-19(15-6-9-23-10-7-15)26-20(13-17)16-8-11-24-21(14-16)25-18-4-2-1-3-5-18/h6-14,18H,1-5H2,(H,24,25)(H,27,28)
InChIKeyXMNPGYCYVXOEEN-UHFFFAOYSA-N
XLogP4.65
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid (CID 67083636) is 2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccncc2)nc(-c2ccnc(NC3CCCCC3)c2)c1.
What is the InChIKey of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid?
The InChIKey is XMNPGYCYVXOEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-22(28)17-12-19(15-6-9-23-10-7-15)26-20(13-17)16-8-11-24-21(14-16)25-18-4-2-1-3-5-18/h6-14,18H,1-5H2,(H,24,25)(H,27,28).
What are the key properties of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid?
2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 67083636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).