2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide

C16H17Cl2N3O — CID 167845702

IUPAC2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)c(N(C)C)c1
InChIInChI=1S/C16H17Cl2N3O/c1-10-4-5-11(13(6-10)21(2)3)9-19-16(22)12-7-14(17)20-15(18)8-12/h4-8H,9H2,1-3H3,(H,19,22)
InChIKeyHIDYSCSWCKSGAU-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.69
Rot. Bonds4

About 2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide

2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide (PubChem CID 167845702) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide
PubChem CID167845702
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)c(N(C)C)c1
InChIInChI=1S/C16H17Cl2N3O/c1-10-4-5-11(13(6-10)21(2)3)9-19-16(22)12-7-14(17)20-15(18)8-12/h4-8H,9H2,1-3H3,(H,19,22)
InChIKeyHIDYSCSWCKSGAU-UHFFFAOYSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.69
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

N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 71922829
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
N-[(2-chloro-6-methyl-3-pyridinyl)methyl]-4-methylbenzamide
CID 23530658
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
2-ethyl-N,N,5-trimethylaniline
CID 59382459
1-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111976814
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701806
2-amino-6-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-4-carboxamide
CID 63373106

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide (CID 167845702) is 2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(Cl)nc(Cl)c2)c(N(C)C)c1.
What is the InChIKey of 2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide?
The InChIKey is HIDYSCSWCKSGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-10-4-5-11(13(6-10)21(2)3)9-19-16(22)12-7-14(17)20-15(18)8-12/h4-8H,9H2,1-3H3,(H,19,22).
What are the key properties of 2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide has a molecular weight of 338.24 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 167845702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).