N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide

C18H20N4O — CID 166358840

IUPACN-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
SMILESCCNC(=O)c1ccc(C)c(NCc2ccnc3[nH]ccc23)c1
InChIInChI=1S/C18H20N4O/c1-3-19-18(23)13-5-4-12(2)16(10-13)22-11-14-6-8-20-17-15(14)7-9-21-17/h4-10,22H,3,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyOYQXMPMQAUTMJS-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide

N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide (PubChem CID 166358840) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
PubChem CID166358840
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
SMILESCCNC(=O)c1ccc(C)c(NCc2ccnc3[nH]ccc23)c1
InChIInChI=1S/C18H20N4O/c1-3-19-18(23)13-5-4-12(2)16(10-13)22-11-14-6-8-20-17-15(14)7-9-21-17/h4-10,22H,3,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyOYQXMPMQAUTMJS-UHFFFAOYSA-N
XLogP3.23
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166231513
[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 166237298
N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62748907
4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzamide
CID 134793219
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 176903588
N-ethyl-4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60936738
3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166205015
N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757049
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507
3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide
CID 136568853
N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide
CID 166358700

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide (CID 166358840) is N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide is CCNC(=O)c1ccc(C)c(NCc2ccnc3[nH]ccc23)c1.
What is the InChIKey of N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
The InChIKey is OYQXMPMQAUTMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-19-18(23)13-5-4-12(2)16(10-13)22-11-14-6-8-20-17-15(14)7-9-21-17/h4-10,22H,3,11H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide?
N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide has a molecular weight of 308.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 166358840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).