N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide

C20H21N3O — CID 86674848

IUPACN-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide
SMILESC=C(C)c1ccc(C(=O)Nc2cc3c(cn2)c(C)cn3CC)cc1
InChIInChI=1S/C20H21N3O/c1-5-23-12-14(4)17-11-21-19(10-18(17)23)22-20(24)16-8-6-15(7-9-16)13(2)3/h6-12H,2,5H2,1,3-4H3,(H,21,22,24)
InChIKeyLKEJCUNNSHLKLB-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.65
Rot. Bonds4

About N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide

N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide (PubChem CID 86674848) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide
PubChem CID86674848
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide
SMILESC=C(C)c1ccc(C(=O)Nc2cc3c(cn2)c(C)cn3CC)cc1
InChIInChI=1S/C20H21N3O/c1-5-23-12-14(4)17-11-21-19(10-18(17)23)22-20(24)16-8-6-15(7-9-16)13(2)3/h6-12H,2,5H2,1,3-4H3,(H,21,22,24)
InChIKeyLKEJCUNNSHLKLB-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Acetamido deriv. 12
CID 6539894
Acetamido deriv. 13
CID 6539895

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide?
The IUPAC name of N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide (CID 86674848) is N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide is C=C(C)c1ccc(C(=O)Nc2cc3c(cn2)c(C)cn3CC)cc1.
What is the InChIKey of N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide?
The InChIKey is LKEJCUNNSHLKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-5-23-12-14(4)17-11-21-19(10-18(17)23)22-20(24)16-8-6-15(7-9-16)13(2)3/h6-12H,2,5H2,1,3-4H3,(H,21,22,24).
What are the key properties of N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide?
N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide is sourced from PubChem (CID 86674848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).