ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen

C18H27N5O — CID 142517408

IUPACethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen
SMILESC/C=C(\C=N/C(C)NC(=O)c1nccn1C)c1ccccn1.CC.[H][H]
InChIInChI=1S/C16H19N5O.C2H6.H2/c1-4-13(14-7-5-6-8-17-14)11-19-12(2)20-16(22)15-18-9-10-21(15)3;1-2;/h4-12H,1-3H3,(H,20,22);1-2H3;1H/b13-4+,19-11-;;
InChIKeyWMOXTJJJLCUTEJ-OBYBSLEMSA-N
MW329.45 g/mol
LogP3.34
Rot. Bonds5

About ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen

ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen (PubChem CID 142517408) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen
PubChem CID142517408
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Nameethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen
SMILESC/C=C(\C=N/C(C)NC(=O)c1nccn1C)c1ccccn1.CC.[H][H]
InChIInChI=1S/C16H19N5O.C2H6.H2/c1-4-13(14-7-5-6-8-17-14)11-19-12(2)20-16(22)15-18-9-10-21(15)3;1-2;/h4-12H,1-3H3,(H,20,22);1-2H3;1H/b13-4+,19-11-;;
InChIKeyWMOXTJJJLCUTEJ-OBYBSLEMSA-N
XLogP3.34
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
CID 155726107
N-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1-methylimidazole-2-carboxamide
CID 164634011
N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine
CID 142517363
N-[(2S)-1-[[(2R)-3,3-dimethylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylimidazole-2-carboxamide
CID 58012738
2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
CID 112731558
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711320
(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone
CID 60660103
2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
CID 79616410

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen?
The IUPAC name of ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen (CID 142517408) is ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen is C/C=C(\C=N/C(C)NC(=O)c1nccn1C)c1ccccn1.CC.[H][H].
What is the InChIKey of ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen?
The InChIKey is WMOXTJJJLCUTEJ-OBYBSLEMSA-N. The full InChI is InChI=1S/C16H19N5O.C2H6.H2/c1-4-13(14-7-5-6-8-17-14)11-19-12(2)20-16(22)15-18-9-10-21(15)3;1-2;/h4-12H,1-3H3,(H,20,22);1-2H3;1H/b13-4+,19-11-;;.
What are the key properties of ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen?
ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen has a molecular weight of 329.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 142517408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).