1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide

C19H22FN3O2 — CID 119898305

IUPAC1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCCCC1
InChIInChI=1S/C19H22FN3O2/c20-16-12-14(23-18(24)19(21)9-3-1-4-10-19)7-8-17(16)25-13-15-6-2-5-11-22-15/h2,5-8,11-12H,1,3-4,9-10,13,21H2,(H,23,24)
InChIKeyQIGQKUNZJHNMNC-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.40
Rot. Bonds5

About 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide

1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 119898305) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID119898305
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCCCC1
InChIInChI=1S/C19H22FN3O2/c20-16-12-14(23-18(24)19(21)9-3-1-4-10-19)7-8-17(16)25-13-15-6-2-5-11-22-15/h2,5-8,11-12H,1,3-4,9-10,13,21H2,(H,23,24)
InChIKeyQIGQKUNZJHNMNC-UHFFFAOYSA-N
XLogP3.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119898304
4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119898314
2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 168523388
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166253172
1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284946
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 71865991
1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 119747542
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
2-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609787
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119898286

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide (CID 119898305) is 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is QIGQKUNZJHNMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-12-14(23-18(24)19(21)9-3-1-4-10-19)7-8-17(16)25-13-15-6-2-5-11-22-15/h2,5-8,11-12H,1,3-4,9-10,13,21H2,(H,23,24).
What are the key properties of 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119898305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).