5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide

C16H14Cl2N2O — CID 46462401

IUPAC5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-13-8-11(9-19-14(13)18)15(21)20-10-16(6-7-16)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,20,21)
InChIKeyRNRPHFRKSCRZPU-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.85
Rot. Bonds4

About 5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide

5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide (PubChem CID 46462401) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
PubChem CID46462401
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-13-8-11(9-19-14(13)18)15(21)20-10-16(6-7-16)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,20,21)
InChIKeyRNRPHFRKSCRZPU-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

2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80717032
5-chloro-N-[(1-phenylcyclohexyl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952899
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103737222
5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693
3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide
CID 42145534
4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 126828456
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090713
5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 60748585
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide (CID 46462401) is 5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide is O=C(NCC1(c2ccccc2)CC1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
The InChIKey is RNRPHFRKSCRZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-13-8-11(9-19-14(13)18)15(21)20-10-16(6-7-16)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,20,21).
What are the key properties of 5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-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 5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46462401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).