(2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide

C14H16N4O — CID 175861442

IUPAC(2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide
SMILESC=C[C@@H](C)C(=O)Nc1cnn(C)c1-c1ccncc1
InChIInChI=1S/C14H16N4O/c1-4-10(2)14(19)17-12-9-16-18(3)13(12)11-5-7-15-8-6-11/h4-10H,1H2,2-3H3,(H,17,19)/t10-/m1/s1
InChIKeyXSEJQNPPTLSEMP-SNVBAGLBSA-N
MW256.31 g/mol
LogP2.24
Rot. Bonds4

About (2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide

(2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide (PubChem CID 175861442) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide
PubChem CID175861442
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide
SMILESC=C[C@@H](C)C(=O)Nc1cnn(C)c1-c1ccncc1
InChIInChI=1S/C14H16N4O/c1-4-10(2)14(19)17-12-9-16-18(3)13(12)11-5-7-15-8-6-11/h4-10H,1H2,2-3H3,(H,17,19)/t10-/m1/s1
InChIKeyXSEJQNPPTLSEMP-SNVBAGLBSA-N
XLogP2.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[1-methyl-4-(2-methylbut-3-enoylamino)pyrazol-5-yl]-3-pyridinyl]but-3-enylcarbamic acid
CID 146371710
1-[2-[1-methyl-4-(2-methylbut-3-enoylamino)pyrazol-5-yl]-4-pyridinyl]but-3-enylcarbamic acid
CID 146371674
1-[3-fluoro-5-[1-methyl-4-(2-methylbut-3-enoylamino)pyrazol-5-yl]phenyl]but-3-enylcarbamic acid
CID 146371675
tert-butyl N-[1-[4-[1-methyl-4-(2-propan-2-ylbut-3-enoylamino)pyrazol-5-yl]-2-pyridinyl]but-3-enyl]carbamate
CID 123965117
tert-butyl N-[(1S)-1-[4-[1-(difluoromethyl)-4-(2-methylbut-3-enoylamino)pyrazol-5-yl]-2-pyridinyl]but-3-enyl]carbamate
CID 131747019
N-(1-methyl-5-phenylpyrazol-4-yl)butanamide
CID 110664720
methyl N-[2-[[(2R)-2-methylbut-3-enoyl]amino]phenyl]carbamate
CID 175694319
N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 166217040
4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664717
N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide
CID 110664769
benzyl N-[(1S)-1-[4-[4-[[(2R)-2-methylbut-3-enoyl]amino]-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-5-yl]-2-pyridinyl]but-3-enyl]carbamate
CID 140775214
2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664738

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide?
The IUPAC name of (2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide (CID 175861442) is (2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide.
What is the SMILES notation for (2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide?
The canonical SMILES for (2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide is C=C[C@@H](C)C(=O)Nc1cnn(C)c1-c1ccncc1.
What is the InChIKey of (2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide?
The InChIKey is XSEJQNPPTLSEMP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O/c1-4-10(2)14(19)17-12-9-16-18(3)13(12)11-5-7-15-8-6-11/h4-10H,1H2,2-3H3,(H,17,19)/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide?
(2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide has a molecular weight of 256.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)but-3-enamide is sourced from PubChem (CID 175861442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).