N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide

C20H30N4O2 — CID 134219911

IUPACN-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide
SMILESC/C=C(/C(=O)N(C)[C@H]1CCCCC1N(C)C(=O)c1ccccn1)N(C)C
InChIInChI=1S/C20H30N4O2/c1-6-16(22(2)3)20(26)24(5)18-13-8-7-12-17(18)23(4)19(25)15-11-9-10-14-21-15/h6,9-11,14,17-18H,7-8,12-13H2,1-5H3/b16-6-/t17?,18-/m0/s1
InChIKeyQQIHRUYLDYYTSB-CVKDMBEPSA-N
MW358.49 g/mol
LogP2.39
Rot. Bonds5

About N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide

N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide (PubChem CID 134219911) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide
PubChem CID134219911
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide
SMILESC/C=C(/C(=O)N(C)[C@H]1CCCCC1N(C)C(=O)c1ccccn1)N(C)C
InChIInChI=1S/C20H30N4O2/c1-6-16(22(2)3)20(26)24(5)18-13-8-7-12-17(18)23(4)19(25)15-11-9-10-14-21-15/h6,9-11,14,17-18H,7-8,12-13H2,1-5H3/b16-6-/t17?,18-/m0/s1
InChIKeyQQIHRUYLDYYTSB-CVKDMBEPSA-N
XLogP2.39
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide
CID 115277407
N-methylpyridine-2-carbohydrazide
CID 45084309
N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 42942380
N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 54994544
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N-methylpyrimidine-4-carboxamide
CID 110126055
6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 136556641
N-(5-aminocyclohexa-2,4-dien-1-yl)-N-methylpyridine-2-carboxamide
CID 71084186
N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 3742330
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
CID 102637885
N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
CID 6940630

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide (CID 134219911) is N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide is C/C=C(/C(=O)N(C)[C@H]1CCCCC1N(C)C(=O)c1ccccn1)N(C)C.
What is the InChIKey of N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide?
The InChIKey is QQIHRUYLDYYTSB-CVKDMBEPSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-6-16(22(2)3)20(26)24(5)18-13-8-7-12-17(18)23(4)19(25)15-11-9-10-14-21-15/h6,9-11,14,17-18H,7-8,12-13H2,1-5H3/b16-6-/t17?,18-/m0/s1.
What are the key properties of N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide?
N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[[(Z)-2-(dimethylamino)but-2-enoyl]-methylamino]cyclohexyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 134219911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).