2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide

C16H15N7O3 — CID 155357005

IUPAC2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide
SMILESCC(C(N)=O)c1ccc(-n2cc(-c3ccnc(N)c3[N+](=O)[O-])cn2)nc1
InChIInChI=1S/C16H15N7O3/c1-9(16(18)24)10-2-3-13(20-6-10)22-8-11(7-21-22)12-4-5-19-15(17)14(12)23(25)26/h2-9H,1H3,(H2,17,19)(H2,18,24)
InChIKeyPEMUYJCVZBTXFL-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.41
Rot. Bonds5

About 2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide

2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide (PubChem CID 155357005) has the molecular formula C16H15N7O3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide
PubChem CID155357005
Molecular FormulaC16H15N7O3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide
SMILESCC(C(N)=O)c1ccc(-n2cc(-c3ccnc(N)c3[N+](=O)[O-])cn2)nc1
InChIInChI=1S/C16H15N7O3/c1-9(16(18)24)10-2-3-13(20-6-10)22-8-11(7-21-22)12-4-5-19-15(17)14(12)23(25)26/h2-9H,1H3,(H2,17,19)(H2,18,24)
InChIKeyPEMUYJCVZBTXFL-UHFFFAOYSA-N
XLogP1.41
TPSA155.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide (CID 155357005) is 2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide is CC(C(N)=O)c1ccc(-n2cc(-c3ccnc(N)c3[N+](=O)[O-])cn2)nc1.
What is the InChIKey of 2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide?
The InChIKey is PEMUYJCVZBTXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O3/c1-9(16(18)24)10-2-3-13(20-6-10)22-8-11(7-21-22)12-4-5-19-15(17)14(12)23(25)26/h2-9H,1H3,(H2,17,19)(H2,18,24).
What are the key properties of 2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide?
2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide has a molecular weight of 353.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-amino-3-nitro-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 155357005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).