2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide

C19H20ClN5O2 — CID 135163292

IUPAC2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
SMILESCONC(=O)c1ccccc1Nc1cc(Nc2cc(C)cn2C)ncc1Cl
InChIInChI=1S/C19H20ClN5O2/c1-12-8-18(25(2)11-12)23-17-9-16(14(20)10-21-17)22-15-7-5-4-6-13(15)19(26)24-27-3/h4-11H,1-3H3,(H,24,26)(H2,21,22,23)
InChIKeyMPWUMFWEDVQILR-UHFFFAOYSA-N
MW385.86 g/mol
LogP4.16
Rot. Bonds6

About 2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide

2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide (PubChem CID 135163292) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
PubChem CID135163292
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
SMILESCONC(=O)c1ccccc1Nc1cc(Nc2cc(C)cn2C)ncc1Cl
InChIInChI=1S/C19H20ClN5O2/c1-12-8-18(25(2)11-12)23-17-9-16(14(20)10-21-17)22-15-7-5-4-6-13(15)19(26)24-27-3/h4-11H,1-3H3,(H,24,26)(H2,21,22,23)
InChIKeyMPWUMFWEDVQILR-UHFFFAOYSA-N
XLogP4.16
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 46215100
2-[[5-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-fluoro-N-methoxybenzamide
CID 54588991
[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate
CID 140550545
2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide
CID 58497347
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468
2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 25072546
2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide
CID 46215451
2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide
CID 89162964
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101481
2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
CID 90842896
N-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 87259623
3-chloro-N-methoxy-2-methylbenzamide
CID 107097630

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?
The IUPAC name of 2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide (CID 135163292) is 2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide.
What is the SMILES notation for 2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?
The canonical SMILES for 2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide is CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)cn2C)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?
The InChIKey is MPWUMFWEDVQILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-12-8-18(25(2)11-12)23-17-9-16(14(20)10-21-17)22-15-7-5-4-6-13(15)19(26)24-27-3/h4-11H,1-3H3,(H,24,26)(H2,21,22,23).
What are the key properties of 2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?
2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide has a molecular weight of 385.86 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide is sourced from PubChem (CID 135163292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).