N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide

C22H23N5O — CID 10292737

IUPACN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)C1CCCCC1
InChIInChI=1S/C22H23N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h4-5,8-16H,1-3,6-7H2,(H,25,28)(H,24,26,27)
InChIKeyYDUUIKKCZDDRLN-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.80
Rot. Bonds5

About N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide

N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide (PubChem CID 10292737) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide
PubChem CID10292737
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)C1CCCCC1
InChIInChI=1S/C22H23N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h4-5,8-16H,1-3,6-7H2,(H,25,28)(H,24,26,27)
InChIKeyYDUUIKKCZDDRLN-UHFFFAOYSA-N
XLogP4.80
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide (CID 10292737) is N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide?
The InChIKey is YDUUIKKCZDDRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h4-5,8-16H,1-3,6-7H2,(H,25,28)(H,24,26,27).
What are the key properties of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide?
N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 10292737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).