(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide

C16H20N4O — CID 94122258

IUPAC(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
SMILESCC/C=C(\C)C(=O)NCc1ccnc(-n2ccnc2C)c1
InChIInChI=1S/C16H20N4O/c1-4-5-12(2)16(21)19-11-14-6-7-18-15(10-14)20-9-8-17-13(20)3/h5-10H,4,11H2,1-3H3,(H,19,21)/b12-5+
InChIKeyUBBGWXYFVKAMCG-LFYBBSHMSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds5

About (E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide

(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide (PubChem CID 94122258) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
PubChem CID94122258
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
SMILESCC/C=C(\C)C(=O)NCc1ccnc(-n2ccnc2C)c1
InChIInChI=1S/C16H20N4O/c1-4-5-12(2)16(21)19-11-14-6-7-18-15(10-14)20-9-8-17-13(20)3/h5-10H,4,11H2,1-3H3,(H,19,21)/b12-5+
InChIKeyUBBGWXYFVKAMCG-LFYBBSHMSA-N
XLogP2.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.55
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-[4-(4-chlorobenzoyl)phenoxy]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]acetamide
CID 55849154
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55716284
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 51115815
3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide
CID 55717271
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 55727875
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea
CID 55799872
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 52986439
3-methoxy-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55728220
1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 47050392
tert-butyl N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]phenyl]carbamate
CID 47036415
1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47037452
5-ethyl-1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55847605

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide?
The IUPAC name of (E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide (CID 94122258) is (E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide is CC/C=C(\C)C(=O)NCc1ccnc(-n2ccnc2C)c1.
What is the InChIKey of (E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide?
The InChIKey is UBBGWXYFVKAMCG-LFYBBSHMSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-5-12(2)16(21)19-11-14-6-7-18-15(10-14)20-9-8-17-13(20)3/h5-10H,4,11H2,1-3H3,(H,19,21)/b12-5+.
What are the key properties of (E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide?
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide is sourced from PubChem (CID 94122258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).