N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide

C13H14N4O — CID 166428675

IUPACN-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide
SMILESC=CC(=O)NC(c1cnn(C)c1)c1ccccn1
InChIInChI=1S/C13H14N4O/c1-3-12(18)16-13(10-8-15-17(2)9-10)11-6-4-5-7-14-11/h3-9,13H,1H2,2H3,(H,16,18)
InChIKeyFWPQHUKJZUGGCV-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.21
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide

N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide (PubChem CID 166428675) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide
PubChem CID166428675
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide
SMILESC=CC(=O)NC(c1cnn(C)c1)c1ccccn1
InChIInChI=1S/C13H14N4O/c1-3-12(18)16-13(10-8-15-17(2)9-10)11-6-4-5-7-14-11/h3-9,13H,1H2,2H3,(H,16,18)
InChIKeyFWPQHUKJZUGGCV-UHFFFAOYSA-N
XLogP1.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 125139659
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
4-acetyl-1-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrrole-2-carboxamide
CID 94463334
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
CID 78779317
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115289633
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115289665
N-[3-[2-[[2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421596
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 78779504
(2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide
CID 95271736
(E)-3-(5-bromofuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]prop-2-enamide
CID 46797124
5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 51927508

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide (CID 166428675) is N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide is C=CC(=O)NC(c1cnn(C)c1)c1ccccn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide?
The InChIKey is FWPQHUKJZUGGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-3-12(18)16-13(10-8-15-17(2)9-10)11-6-4-5-7-14-11/h3-9,13H,1H2,2H3,(H,16,18).
What are the key properties of N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide?
N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide is sourced from PubChem (CID 166428675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).