4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide

C28H31N5O2 — CID 90465832

IUPAC4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide
SMILESCn1cc(C2CCN(C(=O)C3CCCCC3)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21
InChIInChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)
InChIKeyLRJCIDHTWFKTMZ-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.98
Rot. Bonds4

About 4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide

4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide (PubChem CID 90465832) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide
PubChem CID90465832
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide
SMILESCn1cc(C2CCN(C(=O)C3CCCCC3)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21
InChIInChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)
InChIKeyLRJCIDHTWFKTMZ-UHFFFAOYSA-N
XLogP4.98
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide (CID 90465832) is 4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide is Cn1cc(C2CCN(C(=O)C3CCCCC3)CC2)c2cc(NC(=O)c3cc(C#N)ccn3)ccc21.
What is the InChIKey of 4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide?
The InChIKey is LRJCIDHTWFKTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34).
What are the key properties of 4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide?
4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methylindol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90465832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).