4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide

C18H19ClN4O — CID 135253007

IUPAC4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(C)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c12
InChIInChI=1S/C18H19ClN4O/c1-11-10-23(4)17-15(11)16(19)14(9-20-17)18(24)21-12-5-7-13(8-6-12)22(2)3/h5-10H,1-4H3,(H,21,24)
InChIKeyVCYDKXSWOHIALJ-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.85
Rot. Bonds3

About 4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide

4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 135253007) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID135253007
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(C)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c12
InChIInChI=1S/C18H19ClN4O/c1-11-10-23(4)17-15(11)16(19)14(9-20-17)18(24)21-12-5-7-13(8-6-12)22(2)3/h5-10H,1-4H3,(H,21,24)
InChIKeyVCYDKXSWOHIALJ-UHFFFAOYSA-N
XLogP3.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135252989
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253003
4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253001
1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253068
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457407
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 145130823
4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253184
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
N-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 135253007) is 4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide is Cc1cn(C)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is VCYDKXSWOHIALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-11-10-23(4)17-15(11)16(19)14(9-20-17)18(24)21-12-5-7-13(8-6-12)22(2)3/h5-10H,1-4H3,(H,21,24).
What are the key properties of 4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide?
4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 135253007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).