2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide

C17H19N5O4S — CID 133278490

IUPAC2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)s1
InChIInChI=1S/C17H19N5O4S/c1-10-2-3-14(27-10)17(24)20-11-4-6-21(7-5-11)16-13(15(18)23)8-12(9-19-16)22(25)26/h2-3,8-9,11H,4-7H2,1H3,(H2,18,23)(H,20,24)
InChIKeyNFRKESLFRZRXEM-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.86
Rot. Bonds5

About 2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide

2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide (PubChem CID 133278490) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide
PubChem CID133278490
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)s1
InChIInChI=1S/C17H19N5O4S/c1-10-2-3-14(27-10)17(24)20-11-4-6-21(7-5-11)16-13(15(18)23)8-12(9-19-16)22(25)26/h2-3,8-9,11H,4-7H2,1H3,(H2,18,23)(H,20,24)
InChIKeyNFRKESLFRZRXEM-UHFFFAOYSA-N
XLogP1.86
TPSA131.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
5-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133278481
5-methyl-N-[1-(3-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide
CID 133393844
2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133279381
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432414
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472
2-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133349682
5-methyl-N-[1-[1-(3-nitroanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 49448351
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
5-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133469263

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide (CID 133278490) is 2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide is Cc1ccc(C(=O)NC2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)s1.
What is the InChIKey of 2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The InChIKey is NFRKESLFRZRXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-10-2-3-14(27-10)17(24)20-11-4-6-21(7-5-11)16-13(15(18)23)8-12(9-19-16)22(25)26/h2-3,8-9,11H,4-7H2,1H3,(H2,18,23)(H,20,24).
What are the key properties of 2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133278490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).