N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide

C21H22N6O2 — CID 118473468

IUPACN-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(C)cn2)ncc1C(=O)NC
InChIInChI=1S/C21H22N6O2/c1-13-8-9-18(24-11-13)27-19-10-17(15(12-25-19)21(29)23-3)26-16-7-5-4-6-14(16)20(28)22-2/h4-12H,1-3H3,(H,22,28)(H,23,29)(H2,24,25,26,27)
InChIKeyGRQURPFDLWHAJN-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.99
Rot. Bonds6

About N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide

N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 118473468) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID118473468
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(C)cn2)ncc1C(=O)NC
InChIInChI=1S/C21H22N6O2/c1-13-8-9-18(24-11-13)27-19-10-17(15(12-25-19)21(29)23-3)26-16-7-5-4-6-14(16)20(28)22-2/h4-12H,1-3H3,(H,22,28)(H,23,29)(H2,24,25,26,27)
InChIKeyGRQURPFDLWHAJN-UHFFFAOYSA-N
XLogP2.99
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1H-indol-7-ylamino)-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473467
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide
CID 118473464
6-amino-N-methyl-4-(2-methylanilino)pyridine-3-carboxamide
CID 122579392
4-[[(1S,2R)-2-carbamoylcyclohexyl]amino]-N-methyl-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 121284898
2-acetamido-N-(5-methyl-2-pyridinyl)benzamide
CID 3419265
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153800
N-methyl-2-(2,4,6-trimethylanilino)benzamide
CID 67997088
2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide
CID 46215451
aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 160857576
2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide
CID 89162964
N,N-dimethylformamide;N-methyl-3-[[2-[(5-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide
CID 145477974

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide (CID 118473468) is N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C)cn2)ncc1C(=O)NC.
What is the InChIKey of N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is GRQURPFDLWHAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-13-8-9-18(24-11-13)27-19-10-17(15(12-25-19)21(29)23-3)26-16-7-5-4-6-14(16)20(28)22-2/h4-12H,1-3H3,(H,22,28)(H,23,29)(H2,24,25,26,27).
What are the key properties of N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 118473468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).