N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide

C16H20N4O — CID 10880608

IUPACN-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide
SMILESCCN1CC=C(c2c[nH]c3ccc(NC(C)=O)nc23)CC1
InChIInChI=1S/C16H20N4O/c1-3-20-8-6-12(7-9-20)13-10-17-14-4-5-15(18-11(2)21)19-16(13)14/h4-6,10,17H,3,7-9H2,1-2H3,(H,18,19,21)
InChIKeyCINLYSVVMFMYQH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.63
Rot. Bonds3

About N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide

N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide (PubChem CID 10880608) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide
PubChem CID10880608
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide
SMILESCCN1CC=C(c2c[nH]c3ccc(NC(C)=O)nc23)CC1
InChIInChI=1S/C16H20N4O/c1-3-20-8-6-12(7-9-20)13-10-17-14-4-5-15(18-11(2)21)19-16(13)14/h4-6,10,17H,3,7-9H2,1-2H3,(H,18,19,21)
InChIKeyCINLYSVVMFMYQH-UHFFFAOYSA-N
XLogP2.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide (CID 10880608) is N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide is CCN1CC=C(c2c[nH]c3ccc(NC(C)=O)nc23)CC1.
What is the InChIKey of N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
The InChIKey is CINLYSVVMFMYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-20-8-6-12(7-9-20)13-10-17-14-4-5-15(18-11(2)21)19-16(13)14/h4-6,10,17H,3,7-9H2,1-2H3,(H,18,19,21).
What are the key properties of N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide is sourced from PubChem (CID 10880608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).