2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide

C16H14Cl2N2O — CID 29293830

IUPAC2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-13-8-11(9-14(18)20-13)15(21)19-10-16(6-7-16)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,19,21)
InChIKeyHOLQSSCZETWBOH-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.85
Rot. Bonds4

About 2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide

2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide (PubChem CID 29293830) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
PubChem CID29293830
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-13-8-11(9-14(18)20-13)15(21)19-10-16(6-7-16)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,19,21)
InChIKeyHOLQSSCZETWBOH-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 42145585
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223
4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide
CID 42145645
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 20596215
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide
CID 42145534

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide (CID 29293830) is 2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide is O=C(NCC1(c2ccccc2)CC1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide?
The InChIKey is HOLQSSCZETWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-13-8-11(9-14(18)20-13)15(21)19-10-16(6-7-16)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,19,21).
What are the key properties of 2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide has a molecular weight of 321.21 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 29293830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).