4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide

C16H21ClN4O2 — CID 135253010

IUPAC4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(C)c2ncc(C(=O)NCCN3CCOCC3)c(Cl)c12
InChIInChI=1S/C16H21ClN4O2/c1-11-10-20(2)15-13(11)14(17)12(9-19-15)16(22)18-3-4-21-5-7-23-8-6-21/h9-10H,3-8H2,1-2H3,(H,18,22)
InChIKeyDXCFXLRWXFGOTH-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.60
Rot. Bonds4

About 4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide

4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 135253010) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID135253010
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(C)c2ncc(C(=O)NCCN3CCOCC3)c(Cl)c12
InChIInChI=1S/C16H21ClN4O2/c1-11-10-20(2)15-13(11)14(17)12(9-19-15)16(22)18-3-4-21-5-7-23-8-6-21/h9-10H,3-8H2,1-2H3,(H,18,22)
InChIKeyDXCFXLRWXFGOTH-UHFFFAOYSA-N
XLogP1.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253001
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626649
4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 145130943
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
2-amino-5-chloro-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 114921931
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624075
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
5-chloro-6-(ethylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 62166235
5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 47141788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide (CID 135253010) is 4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1cn(C)c2ncc(C(=O)NCCN3CCOCC3)c(Cl)c12.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is DXCFXLRWXFGOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-11-10-20(2)15-13(11)14(17)12(9-19-15)16(22)18-3-4-21-5-7-23-8-6-21/h9-10H,3-8H2,1-2H3,(H,18,22).
What are the key properties of 4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 135253010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).