N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide

C16H16N2O2 — CID 121497473

IUPACN-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(-c2cccc(CO)c2)c1
InChIInChI=1S/C16H16N2O2/c19-10-11-2-1-3-12(8-11)15-9-13(6-7-17-15)16(20)18-14-4-5-14/h1-3,6-9,14,19H,4-5,10H2,(H,18,20)
InChIKeyUQNXGKVKZXABDY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.13
Rot. Bonds4

About N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide

N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide (PubChem CID 121497473) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
PubChem CID121497473
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(-c2cccc(CO)c2)c1
InChIInChI=1S/C16H16N2O2/c19-10-11-2-1-3-12(8-11)15-9-13(6-7-17-15)16(20)18-14-4-5-14/h1-3,6-9,14,19H,4-5,10H2,(H,18,20)
InChIKeyUQNXGKVKZXABDY-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid
CID 155910539
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
2-(3-acetylphenyl)-N-(1-benzylpiperidin-4-yl)pyridine-4-carboxamide
CID 117092468
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224277
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
2-(3-cyanophenyl)-N-(1-cyanopyrrolidin-3-yl)pyridine-4-carboxamide
CID 155229705
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 71940029
N-cyclopropyl-3-[6-[3-(hydroxymethyl)phenyl]purin-9-yl]-4-methylbenzamide
CID 11502193
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
N-(1H-benzimidazol-2-ylmethyl)-2-[4-(cyclopropylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 117092012

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide (CID 121497473) is N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide is O=C(NC1CC1)c1ccnc(-c2cccc(CO)c2)c1.
What is the InChIKey of N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is UQNXGKVKZXABDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-10-11-2-1-3-12(8-11)15-9-13(6-7-17-15)16(20)18-14-4-5-14/h1-3,6-9,14,19H,4-5,10H2,(H,18,20).
What are the key properties of N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 121497473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).