2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide

C14H13Cl2N3O2 — CID 60793096

IUPAC2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide
SMILESCC(C)Oc1ncccc1NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H13Cl2N3O2/c1-8(2)21-14-10(4-3-5-17-14)18-13(20)9-6-11(15)19-12(16)7-9/h3-8H,1-2H3,(H,18,20)
InChIKeyDPKOAENXNAKTHU-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.82
Rot. Bonds4

About 2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide

2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 60793096) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide
PubChem CID60793096
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide
SMILESCC(C)Oc1ncccc1NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H13Cl2N3O2/c1-8(2)21-14-10(4-3-5-17-14)18-13(20)9-6-11(15)19-12(16)7-9/h3-8H,1-2H3,(H,18,20)
InChIKeyDPKOAENXNAKTHU-UHFFFAOYSA-N
XLogP3.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-propan-2-yloxy-3-pyridinyl)thiophene-3-carboxamide
CID 60793810
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
2,3-difluoro-N-(2-propan-2-yloxy-3-pyridinyl)benzamide
CID 62661805
4-fluoro-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)benzamide
CID 115745724
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 63102158
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
CID 79479427
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide
CID 107856629

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide (CID 60793096) is 2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide is CC(C)Oc1ncccc1NC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is DPKOAENXNAKTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-8(2)21-14-10(4-3-5-17-14)18-13(20)9-6-11(15)19-12(16)7-9/h3-8H,1-2H3,(H,18,20).
What are the key properties of 2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide?
2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 60793096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).