4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide

C16H20N6O3 — CID 84599768

IUPAC4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide
SMILESCCn1cc(C2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)cn1
InChIInChI=1S/C16H20N6O3/c1-2-21-11-13(9-18-21)12-4-7-20(8-5-12)16(23)19-14-3-6-17-10-15(14)22(24)25/h3,6,9-12H,2,4-5,7-8H2,1H3,(H,17,19,23)
InChIKeyWTWPFQNNKMTKCF-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.62
Rot. Bonds4

About 4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide

4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide (PubChem CID 84599768) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide
PubChem CID84599768
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide
SMILESCCn1cc(C2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)cn1
InChIInChI=1S/C16H20N6O3/c1-2-21-11-13(9-18-21)12-4-7-20(8-5-12)16(23)19-14-3-6-17-10-15(14)22(24)25/h3,6,9-12H,2,4-5,7-8H2,1H3,(H,17,19,23)
InChIKeyWTWPFQNNKMTKCF-UHFFFAOYSA-N
XLogP2.62
TPSA106.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.62
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

CID 1259244
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CID 1504355
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CID 742456
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CID 4773735
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CID 45831714
CID 45831714
CID 51084478
CID 51084478
CID 53499653
CID 53499653
CID 53500487
CID 53500487
CID 53509401
CID 53509401
CID 72013235
CID 72013235
CID 51084784
CID 51084784
CID 118450495
CID 118450495

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide (CID 84599768) is 4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide is CCn1cc(C2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide?
The InChIKey is WTWPFQNNKMTKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-2-21-11-13(9-18-21)12-4-7-20(8-5-12)16(23)19-14-3-6-17-10-15(14)22(24)25/h3,6,9-12H,2,4-5,7-8H2,1H3,(H,17,19,23).
What are the key properties of 4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide?
4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 84599768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).