4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide

C17H18N2O2 — CID 138034914

IUPAC4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccncc2)CC1)c1ccc(CO)cc1
InChIInChI=1S/C17H18N2O2/c20-11-13-1-3-14(4-2-13)16(21)19-12-17(7-8-17)15-5-9-18-10-6-15/h1-6,9-10,20H,7-8,11-12H2,(H,19,21)
InChIKeyLHKDKJWKYACAHP-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.04
Rot. Bonds5

About 4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide

4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide (PubChem CID 138034914) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
PubChem CID138034914
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccncc2)CC1)c1ccc(CO)cc1
InChIInChI=1S/C17H18N2O2/c20-11-13-1-3-14(4-2-13)16(21)19-12-17(7-8-17)15-5-9-18-10-6-15/h1-6,9-10,20H,7-8,11-12H2,(H,19,21)
InChIKeyLHKDKJWKYACAHP-UHFFFAOYSA-N
XLogP2.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]pyridine-3-carboxamide
CID 75447154
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
CID 75504991
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090713
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide (CID 138034914) is 4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide is O=C(NCC1(c2ccncc2)CC1)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide?
The InChIKey is LHKDKJWKYACAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-11-13-1-3-14(4-2-13)16(21)19-12-17(7-8-17)15-5-9-18-10-6-15/h1-6,9-10,20H,7-8,11-12H2,(H,19,21).
What are the key properties of 4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide?
4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide has a molecular weight of 282.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 138034914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).