N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide

C24H26N4O2 — CID 10092520

IUPACN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)CC1
InChIInChI=1S/C24H26N4O2/c1-30-21-9-7-17(8-10-21)24(29)28-23-16-19(12-14-26-23)18-11-13-25-22(15-18)27-20-5-3-2-4-6-20/h2-6,11-17,21H,7-10H2,1H3,(H,25,27)(H,26,28,29)
InChIKeyPVBFXVLGPVXIGL-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.03
Rot. Bonds6

About N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide

N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide (PubChem CID 10092520) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide
PubChem CID10092520
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)CC1
InChIInChI=1S/C24H26N4O2/c1-30-21-9-7-17(8-10-21)24(29)28-23-16-19(12-14-26-23)18-11-13-25-22(15-18)27-20-5-3-2-4-6-20/h2-6,11-17,21H,7-10H2,1H3,(H,25,27)(H,26,28,29)
InChIKeyPVBFXVLGPVXIGL-UHFFFAOYSA-N
XLogP5.03
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 ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide (CID 10092520) is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide is COC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)CC1.
What is the InChIKey of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide?
The InChIKey is PVBFXVLGPVXIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-21-9-7-17(8-10-21)24(29)28-23-16-19(12-14-26-23)18-11-13-25-22(15-18)27-20-5-3-2-4-6-20/h2-6,11-17,21H,7-10H2,1H3,(H,25,27)(H,26,28,29).
What are the key properties of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide?
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 10092520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).