N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

C14H13N3O3 — CID 129173018

IUPACN-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(/C=C/C(O)O)cn1)c1cccnc1
InChIInChI=1S/C14H13N3O3/c18-13(19)6-4-10-3-5-12(16-8-10)17-14(20)11-2-1-7-15-9-11/h1-9,13,18-19H,(H,16,17,20)/b6-4+
InChIKeyPDQOUZDZVIKDCQ-GQCTYLIASA-N
MW271.28 g/mol
LogP1.05
Rot. Bonds4

About N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 129173018) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID129173018
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(/C=C/C(O)O)cn1)c1cccnc1
InChIInChI=1S/C14H13N3O3/c18-13(19)6-4-10-3-5-12(16-8-10)17-14(20)11-2-1-7-15-9-11/h1-9,13,18-19H,(H,16,17,20)/b6-4+
InChIKeyPDQOUZDZVIKDCQ-GQCTYLIASA-N
XLogP1.05
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113024266
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[6-(propanoylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 43812722
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065
N-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 67819049
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pyridine-3-carboxamide
CID 113025531
N-(5-formyl-2-pyridinyl)benzamide
CID 159048742
N-(1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70617129
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034520
N-[5-(4-ethoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034364

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (CID 129173018) is N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(/C=C/C(O)O)cn1)c1cccnc1.
What is the InChIKey of N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is PDQOUZDZVIKDCQ-GQCTYLIASA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(19)6-4-10-3-5-12(16-8-10)17-14(20)11-2-1-7-15-9-11/h1-9,13,18-19H,(H,16,17,20)/b6-4+.
What are the key properties of N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-3,3-dihydroxyprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 129173018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).