5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide

C13H17Cl2N3O — CID 79314462

IUPAC5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCN(CC1CCCN1C)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c1-17-5-3-4-10(17)8-18(2)13(19)9-6-11(14)12(15)16-7-9/h6-7,10H,3-5,8H2,1-2H3
InChIKeyOKWDYYKZERCABC-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.55
Rot. Bonds3

About 5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide

5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 79314462) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID79314462
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCN(CC1CCCN1C)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c1-17-5-3-4-10(17)8-18(2)13(19)9-6-11(14)12(15)16-7-9/h6-7,10H,3-5,8H2,1-2H3
InChIKeyOKWDYYKZERCABC-UHFFFAOYSA-N
XLogP2.55
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79311186
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 79315921
3,5-dihydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 107704093
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 61218020
5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 114924010
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
5,6-dichloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051847
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243474
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 79319888
2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79313807
4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
CID 79304547

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide (CID 79314462) is 5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide is CN(CC1CCCN1C)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OKWDYYKZERCABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-17-5-3-4-10(17)8-18(2)13(19)9-6-11(14)12(15)16-7-9/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 79314462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).