N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide

C14H22N4O3 — CID 79117949

IUPACN,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide
SMILESCNC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC1
InChIInChI=1S/C14H22N4O3/c1-15-10-4-6-11(7-5-10)17(3)14(19)13-8-12(18(20)21)9-16(13)2/h8-11,15H,4-7H2,1-3H3
InChIKeyGZCVFMAZYJVRLN-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds4

About N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide

N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide (PubChem CID 79117949) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide
PubChem CID79117949
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide
SMILESCNC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC1
InChIInChI=1S/C14H22N4O3/c1-15-10-4-6-11(7-5-10)17(3)14(19)13-8-12(18(20)21)9-16(13)2/h8-11,15H,4-7H2,1-3H3
InChIKeyGZCVFMAZYJVRLN-UHFFFAOYSA-N
XLogP1.54
TPSA80.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-cyclobutyl-1-methyl-4-nitropyrrole-2-carboxamide
CID 102872949
1-methyl-4-nitro-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
CID 60805753
N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-4-nitropyrrole-2-carboxamide
CID 79382299
N-methyl-N-(4-methylcyclohexyl)-3,5-dinitrobenzamide
CID 32919661
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18103039
N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 114307060
4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
N-(2-bromocyclohexyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 113275064
N-(2-chlorocyclohexyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 113272593
N-(2-bromoethyl)-1-methyl-4-nitro-N-pentan-3-ylpyrrole-2-carboxamide
CID 80671171
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 115363943
(4-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-4-nitropyrrol-2-yl)methanone
CID 114680315

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide (CID 79117949) is N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide is CNC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC1.
What is the InChIKey of N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide?
The InChIKey is GZCVFMAZYJVRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-15-10-4-6-11(7-5-10)17(3)14(19)13-8-12(18(20)21)9-16(13)2/h8-11,15H,4-7H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide?
N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[4-(methylamino)cyclohexyl]-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 79117949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).