N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide

C26H31N5O2 — CID 10072211

IUPACN-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)C1CCCCC1
InChIInChI=1S/C26H31N5O2/c32-25(18-7-3-1-4-8-18)28-20-13-11-17(12-14-20)24-29-21-15-23(27-16-22(21)30-24)31-26(33)19-9-5-2-6-10-19/h11-16,18-19H,1-10H2,(H,28,32)(H,29,30)(H,27,31,33)
InChIKeyMXIQUEWGKHJMKI-UHFFFAOYSA-N
MW445.57 g/mol
LogP5.66
Rot. Bonds5

About N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide

N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 10072211) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
PubChem CID10072211
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)C1CCCCC1
InChIInChI=1S/C26H31N5O2/c32-25(18-7-3-1-4-8-18)28-20-13-11-17(12-14-20)24-29-21-15-23(27-16-22(21)30-24)31-26(33)19-9-5-2-6-10-19/h11-16,18-19H,1-10H2,(H,28,32)(H,29,30)(H,27,31,33)
InChIKeyMXIQUEWGKHJMKI-UHFFFAOYSA-N
XLogP5.66
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide (CID 10072211) is N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ncc3[nH]2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is MXIQUEWGKHJMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c32-25(18-7-3-1-4-8-18)28-20-13-11-17(12-14-20)24-29-21-15-23(27-16-22(21)30-24)31-26(33)19-9-5-2-6-10-19/h11-16,18-19H,1-10H2,(H,28,32)(H,29,30)(H,27,31,33).
What are the key properties of N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide?
N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 445.57 g/mol, XLogP of 5.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 10072211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).