6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide

C19H22N6O2 — CID 122308691

IUPAC6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCNc2cc(-n3cccc3)nc(C)n2)cn1
InChIInChI=1S/C19H22N6O2/c1-3-27-18-7-6-15(13-22-18)19(26)21-9-8-20-16-12-17(24-14(2)23-16)25-10-4-5-11-25/h4-7,10-13H,3,8-9H2,1-2H3,(H,21,26)(H,20,23,24)
InChIKeyKWMPIVYWWUEGNT-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.21
Rot. Bonds8

About 6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide

6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 122308691) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
PubChem CID122308691
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCNc2cc(-n3cccc3)nc(C)n2)cn1
InChIInChI=1S/C19H22N6O2/c1-3-27-18-7-6-15(13-22-18)19(26)21-9-8-20-16-12-17(24-14(2)23-16)25-10-4-5-11-25/h4-7,10-13H,3,8-9H2,1-2H3,(H,21,26)(H,20,23,24)
InChIKeyKWMPIVYWWUEGNT-UHFFFAOYSA-N
XLogP2.21
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
CID 122290944
3-cyano-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308613
6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122327671
N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-3-(trifluoromethyl)benzamide
CID 71800001
4-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 50945333
5-methyl-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 122308636
2-methyl-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122308603
1-(2,6-difluorophenyl)-3-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122308543
6-ethoxy-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
CID 122314797
4-methyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308022
1-(2-ethylphenyl)-3-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122308482
3,4-dimethyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308024

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide (CID 122308691) is 6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NCCNc2cc(-n3cccc3)nc(C)n2)cn1.
What is the InChIKey of 6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is KWMPIVYWWUEGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-27-18-7-6-15(13-22-18)19(26)21-9-8-20-16-12-17(24-14(2)23-16)25-10-4-5-11-25/h4-7,10-13H,3,8-9H2,1-2H3,(H,21,26)(H,20,23,24).
What are the key properties of 6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide?
6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 122308691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).