N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide

C15H16N4O3S — CID 133273015

IUPACN-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccsc1
InChIInChI=1S/C15H16N4O3S/c20-15(11-5-9-23-10-11)17-12-3-7-18(8-4-12)14-13(19(21)22)2-1-6-16-14/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,17,20)
InChIKeyDZJSNBQTXRHGRF-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.45
Rot. Bonds4

About N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 133273015) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID133273015
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC NameN-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccsc1
InChIInChI=1S/C15H16N4O3S/c20-15(11-5-9-23-10-11)17-12-3-7-18(8-4-12)14-13(19(21)22)2-1-6-16-14/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,17,20)
InChIKeyDZJSNBQTXRHGRF-UHFFFAOYSA-N
XLogP2.45
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.45
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

N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide
CID 49430968
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
N-[1-[2-nitro-4-(propan-2-ylcarbamoyl)phenyl]piperidin-4-yl]thiophene-3-carboxamide
CID 133273082
N-[1-[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 133273099
N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 95107609
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133298747
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133273038
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 86839632
1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile
CID 2806149
N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 128948618
N-[1-[3-(3-nitrophenyl)prop-2-enoyl]piperidin-4-yl]thiophene-3-carboxamide
CID 76869721
ethyl 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 60631682

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide (CID 133273015) is N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccsc1.
What is the InChIKey of N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is DZJSNBQTXRHGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-15(11-5-9-23-10-11)17-12-3-7-18(8-4-12)14-13(19(21)22)2-1-6-16-14/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,17,20).
What are the key properties of N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 133273015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).