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

C24H25FN4O2 — CID 10364826

IUPACN-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1
InChIInChI=1S/C24H25FN4O2/c1-31-21-8-2-16(3-9-21)24(30)29-23-15-18(11-13-27-23)17-10-12-26-22(14-17)28-20-6-4-19(25)5-7-20/h4-7,10-16,21H,2-3,8-9H2,1H3,(H,26,28)(H,27,29,30)
InChIKeyACGBFWCBVIXTPZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.17
Rot. Bonds6

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

N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide (PubChem CID 10364826) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide
PubChem CID10364826
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1
InChIInChI=1S/C24H25FN4O2/c1-31-21-8-2-16(3-9-21)24(30)29-23-15-18(11-13-27-23)17-10-12-26-22(14-17)28-20-6-4-19(25)5-7-20/h4-7,10-16,21H,2-3,8-9H2,1H3,(H,26,28)(H,27,29,30)
InChIKeyACGBFWCBVIXTPZ-UHFFFAOYSA-N
XLogP5.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide with MolForge

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Related Compounds

4-methoxy-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)cyclohexanecarboxamide
CID 10092520
3-methoxy-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)propanamide
CID 10472936
N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide
CID 11774751
N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydro-2H-pyran-4-carboxamide
CID 44408641
1-acetyl-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)piperidine-4-carboxamide
CID 44408669
N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydro-2H-pyran-4-carboxamide
CID 44408670
(3R)-1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)piperidine-3-carboxamide
CID 44408908
(3S)-1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)piperidine-3-carboxamide
CID 44408909
1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)piperidine-3-carboxamide
CID 44408936
(+)-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydrofuran-3-carboxamide
CID 44408944
4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylcyclohexane-1-carboxamide
CID 89996539
US10251893, Cpd 55
CID 58447634

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide (CID 10364826) is N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide is COC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1.
What is the InChIKey of N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide?
The InChIKey is ACGBFWCBVIXTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-31-21-8-2-16(3-9-21)24(30)29-23-15-18(11-13-27-23)17-10-12-26-22(14-17)28-20-6-4-19(25)5-7-20/h4-7,10-16,21H,2-3,8-9H2,1H3,(H,26,28)(H,27,29,30).
What are the key properties of N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide?
N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 10364826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).