N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide

C17H22N4O3S — CID 51941884

IUPACN-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccsc1
InChIInChI=1S/C17H22N4O3S/c1-4-20(5-2)16(13-6-7-25-11-13)10-19-17(22)15-8-14(21(23)24)9-18-12(15)3/h6-9,11,16H,4-5,10H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyKQIVZUBPYCLXAZ-INIZCTEOSA-N
MW362.46 g/mol
LogP3.17
Rot. Bonds8

About N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide

N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide (PubChem CID 51941884) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide
PubChem CID51941884
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccsc1
InChIInChI=1S/C17H22N4O3S/c1-4-20(5-2)16(13-6-7-25-11-13)10-19-17(22)15-8-14(21(23)24)9-18-12(15)3/h6-9,11,16H,4-5,10H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyKQIVZUBPYCLXAZ-INIZCTEOSA-N
XLogP3.17
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-fluoro-5-nitrophenyl)urea
CID 47050503
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-5-nitrobenzamide
CID 30856514
(E)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 60567757
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-3-nitrobenzamide
CID 42548875
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39212835
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60510440
2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide
CID 39212841
4-methyl-2-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 120528434
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39209724
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]naphthalene-2-carboxamide
CID 55660430

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide (CID 51941884) is N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide is CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccsc1.
What is the InChIKey of N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide?
The InChIKey is KQIVZUBPYCLXAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-4-20(5-2)16(13-6-7-25-11-13)10-19-17(22)15-8-14(21(23)24)9-18-12(15)3/h6-9,11,16H,4-5,10H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide?
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 51941884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).