2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide

C16H18ClN5O2 — CID 56805118

IUPAC2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC(=O)Nc2ccc(C)cn2)cc(Cl)n1
InChIInChI=1S/C16H18ClN5O2/c1-10-4-5-13(19-8-10)21-15(23)9-22(3)16(24)11-6-12(17)20-14(7-11)18-2/h4-8H,9H2,1-3H3,(H,18,20)(H,19,21,23)
InChIKeyGVTQRDUJIFRHSF-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.19
Rot. Bonds5

About 2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide

2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 56805118) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID56805118
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC(=O)Nc2ccc(C)cn2)cc(Cl)n1
InChIInChI=1S/C16H18ClN5O2/c1-10-4-5-13(19-8-10)21-15(23)9-22(3)16(24)11-6-12(17)20-14(7-11)18-2/h4-8H,9H2,1-3H3,(H,18,20)(H,19,21,23)
InChIKeyGVTQRDUJIFRHSF-UHFFFAOYSA-N
XLogP2.19
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 62175591
2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 62169933
3-(3-chloro-2-cyanophenoxy)-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 86963024
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 56805111
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 114953146
N,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 155944690
2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide
CID 62172641
N-(5-methyl-2-pyridinyl)-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetamide
CID 86885989
3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 2672632
2-chloro-N-methyl-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 112692132
2-methoxy-N-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-phenylpropanamide
CID 56782183
2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide
CID 86949435

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide (CID 56805118) is 2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide is CNc1cc(C(=O)N(C)CC(=O)Nc2ccc(C)cn2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is GVTQRDUJIFRHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-10-4-5-13(19-8-10)21-15(23)9-22(3)16(24)11-6-12(17)20-14(7-11)18-2/h4-8H,9H2,1-3H3,(H,18,20)(H,19,21,23).
What are the key properties of 2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide?
2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 56805118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).