N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C24H26N4O2 — CID 59374053

IUPACN-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C24H26N4O2/c1-17-7-9-19(10-8-17)28-23(29)21-5-4-16-26-24(21)30-20-13-11-18(12-14-20)27-22-6-2-3-15-25-22/h2-6,11-17,19H,7-10H2,1H3,(H,25,27)(H,28,29)
InChIKeyCLNDYLPIDMVOSB-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.32
Rot. Bonds6

About N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374053) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374053
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C24H26N4O2/c1-17-7-9-19(10-8-17)28-23(29)21-5-4-16-26-24(21)30-20-13-11-18(12-14-20)27-22-6-2-3-15-25-22/h2-6,11-17,19H,7-10H2,1H3,(H,25,27)(H,28,29)
InChIKeyCLNDYLPIDMVOSB-UHFFFAOYSA-N
XLogP5.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374053) is N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CC1CCC(NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is CLNDYLPIDMVOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-7-9-19(10-8-17)28-23(29)21-5-4-16-26-24(21)30-20-13-11-18(12-14-20)27-22-6-2-3-15-25-22/h2-6,11-17,19H,7-10H2,1H3,(H,25,27)(H,28,29).
What are the key properties of N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).