ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

C18H24N4O — CID 144694036

IUPACethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESCC.CC.Cc1nc(C(N)=O)ccc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C14H12N4O.2C2H6/c1-8-11(2-3-12(18-8)13(15)19)10-6-9-4-5-16-14(9)17-7-10;2*1-2/h2-7H,1H3,(H2,15,19)(H,16,17);2*1-2H3
InChIKeyVVAIVFXAHWVYBF-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.08
Rot. Bonds2

About ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide

ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (PubChem CID 144694036) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
PubChem CID144694036
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Nameethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESCC.CC.Cc1nc(C(N)=O)ccc1-c1cnc2[nH]ccc2c1
InChIInChI=1S/C14H12N4O.2C2H6/c1-8-11(2-3-12(18-8)13(15)19)10-6-9-4-5-16-14(9)17-7-10;2*1-2/h2-7H,1H3,(H2,15,19)(H,16,17);2*1-2H3
InChIKeyVVAIVFXAHWVYBF-UHFFFAOYSA-N
XLogP4.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 91030221
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclopropanecarboxamide
CID 175464351
5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 140781014
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464575
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
CID 82388447
5-[3-(3-amino-3-oxoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N,6-trimethylpyridine-2-carboxamide
CID 123845608
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide
CID 175464314
2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464337
6-methyl-7-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-2,4-diamine
CID 67889365
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123600339
(4-methylpiperazin-1-yl)-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]methanone
CID 66556102
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanoate
CID 171866256

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The IUPAC name of ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide (CID 144694036) is ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is CC.CC.Cc1nc(C(N)=O)ccc1-c1cnc2[nH]ccc2c1.
What is the InChIKey of ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
The InChIKey is VVAIVFXAHWVYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O.2C2H6/c1-8-11(2-3-12(18-8)13(15)19)10-6-9-4-5-16-14(9)17-7-10;2*1-2/h2-7H,1H3,(H2,15,19)(H,16,17);2*1-2H3.
What are the key properties of ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide?
ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 144694036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).