4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide

C20H18N4O2 — CID 75466601

IUPAC4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1
InChIInChI=1S/C20H18N4O2/c21-18(25)14-3-5-15(6-4-14)20(26)24-10-7-13(8-11-24)17-12-23-19-16(17)2-1-9-22-19/h1-7,9,12H,8,10-11H2,(H2,21,25)(H,22,23)
InChIKeyJLPMYUAFPGPCKC-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.59
Rot. Bonds3

About 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide

4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide (PubChem CID 75466601) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
PubChem CID75466601
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1
InChIInChI=1S/C20H18N4O2/c21-18(25)14-3-5-15(6-4-14)20(26)24-10-7-13(8-11-24)17-12-23-19-16(17)2-1-9-22-19/h1-7,9,12H,8,10-11H2,(H2,21,25)(H,22,23)
InChIKeyJLPMYUAFPGPCKC-UHFFFAOYSA-N
XLogP2.59
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide?
The IUPAC name of 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide (CID 75466601) is 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide?
The canonical SMILES for 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide is NC(=O)c1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1.
What is the InChIKey of 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide?
The InChIKey is JLPMYUAFPGPCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-18(25)14-3-5-15(6-4-14)20(26)24-10-7-13(8-11-24)17-12-23-19-16(17)2-1-9-22-19/h1-7,9,12H,8,10-11H2,(H2,21,25)(H,22,23).
What are the key properties of 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide?
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide is sourced from PubChem (CID 75466601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).