N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide

C9H10N2O2 — CID 162345670

IUPACN-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cnccc1CO
InChIInChI=1S/C9H10N2O2/c1-2-9(13)11-8-5-10-4-3-7(8)6-12/h2-5,12H,1,6H2,(H,11,13)
InChIKeyZMLDITWSOZFXCE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.70
Rot. Bonds3

About N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide

N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide (PubChem CID 162345670) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide
PubChem CID162345670
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cnccc1CO
InChIInChI=1S/C9H10N2O2/c1-2-9(13)11-8-5-10-4-3-7(8)6-12/h2-5,12H,1,6H2,(H,11,13)
InChIKeyZMLDITWSOZFXCE-UHFFFAOYSA-N
XLogP0.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
sodium 2-(3-acetamido-4-pyridinyl)acetate
CID 166428394
N-[4-(2-methylpropyl)-3-pyridinyl]acetamide
CID 123762017
N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 167834230
N-[4-(1,1-dioxothian-4-yl)oxy-3-pyridinyl]prop-2-enamide
CID 172853666
2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide
CID 167930241
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
[3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol
CID 115922374
N-[4-(hydroxymethyl)-3-pyridinyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 138016938
1-(4-pyridin-4-yl-3-pyridinyl)but-3-en-2-one
CID 67850975
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide (CID 162345670) is N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cnccc1CO.
What is the InChIKey of N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide?
The InChIKey is ZMLDITWSOZFXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-9(13)11-8-5-10-4-3-7(8)6-12/h2-5,12H,1,6H2,(H,11,13).
What are the key properties of N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide?
N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide has a molecular weight of 178.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 162345670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).