5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide

C18H17Cl2N3O2 — CID 55776635

IUPAC5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1C(=O)N1CCCC1
InChIInChI=1S/C18H17Cl2N3O2/c1-11-5-4-6-14(15(11)18(25)23-7-2-3-8-23)22-17(24)12-9-13(19)16(20)21-10-12/h4-6,9-10H,2-3,7-8H2,1H3,(H,22,24)
InChIKeyVQSKVBVILDHNTD-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.19
Rot. Bonds3

About 5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 55776635) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID55776635
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1C(=O)N1CCCC1
InChIInChI=1S/C18H17Cl2N3O2/c1-11-5-4-6-14(15(11)18(25)23-7-2-3-8-23)22-17(24)12-9-13(19)16(20)21-10-12/h4-6,9-10H,2-3,7-8H2,1H3,(H,22,24)
InChIKeyVQSKVBVILDHNTD-UHFFFAOYSA-N
XLogP4.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 119715820
4-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119715803
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715651
4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 47035979
2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715681
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55894997
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186
2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide
CID 55714655
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
CID 55776443
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 55776635) is 5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1C(=O)N1CCCC1.
What is the InChIKey of 5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VQSKVBVILDHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-11-5-4-6-14(15(11)18(25)23-7-2-3-8-23)22-17(24)12-9-13(19)16(20)21-10-12/h4-6,9-10H,2-3,7-8H2,1H3,(H,22,24).
What are the key properties of 5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 378.26 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55776635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).