N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide

C16H15FN2O — CID 110482056

IUPACN-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CC1)c1ccncc1
InChIInChI=1S/C16H15FN2O/c17-14-3-1-2-13(10-14)16(6-7-16)11-19-15(20)12-4-8-18-9-5-12/h1-5,8-10H,6-7,11H2,(H,19,20)
InChIKeyNMEQCPUINUKTOZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.68
Rot. Bonds4

About N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide (PubChem CID 110482056) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
PubChem CID110482056
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CC1)c1ccncc1
InChIInChI=1S/C16H15FN2O/c17-14-3-1-2-13(10-14)16(6-7-16)11-19-15(20)12-4-8-18-9-5-12/h1-5,8-10H,6-7,11H2,(H,19,20)
InChIKeyNMEQCPUINUKTOZ-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143
N-[2-[[N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111638838
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
CID 138034914
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
N-ethyl-2-[[ethylamino-[[1-(3-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]acetamide
CID 111638688
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025489
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 132968647
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
5-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]pyridine-3-carboxamide
CID 75447154

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide (CID 110482056) is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide is O=C(NCC1(c2cccc(F)c2)CC1)c1ccncc1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide?
The InChIKey is NMEQCPUINUKTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-3-1-2-13(10-14)16(6-7-16)11-19-15(20)12-4-8-18-9-5-12/h1-5,8-10H,6-7,11H2,(H,19,20).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide?
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 110482056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).