3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide

C17H19N5O — CID 166631124

IUPAC3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide
SMILESCCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)n3)cc12
InChIInChI=1S/C17H19N5O/c1-4-10-8-19-16-12(10)7-11(9-20-16)14-6-5-13(18)15(21-14)17(23)22(2)3/h5-9H,4,18H2,1-3H3,(H,19,20)
InChIKeyCRYUGGXXKVZSRV-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.47
Rot. Bonds3

About 3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide

3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 166631124) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide
PubChem CID166631124
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide
SMILESCCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)n3)cc12
InChIInChI=1S/C17H19N5O/c1-4-10-8-19-16-12(10)7-11(9-20-16)14-6-5-13(18)15(21-14)17(23)22(2)3/h5-9H,4,18H2,1-3H3,(H,19,20)
InChIKeyCRYUGGXXKVZSRV-UHFFFAOYSA-N
XLogP2.47
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide (CID 166631124) is 3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide is CCc1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)n3)cc12.
What is the InChIKey of 3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is CRYUGGXXKVZSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-10-8-19-16-12(10)7-11(9-20-16)14-6-5-13(18)15(21-14)17(23)22(2)3/h5-9H,4,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide?
3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 166631124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).