3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide

C19H18ClN3O — CID 154846002

IUPAC3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc3[nH]cc(C4CC4)c3c2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O/c1-23(2)19(24)12-5-6-14(17(20)8-12)13-7-15-16(11-3-4-11)10-22-18(15)21-9-13/h5-11H,3-4H2,1-2H3,(H,21,22)
InChIKeyAKQIJXYNSRUWMQ-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.46
Rot. Bonds3

About 3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide

3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide (PubChem CID 154846002) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
PubChem CID154846002
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc3[nH]cc(C4CC4)c3c2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O/c1-23(2)19(24)12-5-6-14(17(20)8-12)13-7-15-16(11-3-4-11)10-22-18(15)21-9-13/h5-11H,3-4H2,1-2H3,(H,21,22)
InChIKeyAKQIJXYNSRUWMQ-UHFFFAOYSA-N
XLogP4.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-[3-cyclopropyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylbenzamide
CID 146274808
4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 174523287
4-[5-(6-methoxy-2-methyl-1,3,7,8,9,9a-hexahydrobenzo[de]isoquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylbenzamide
CID 170176531
4-[5-(7-methoxy-2-methyl-1,3,7,8,9,9a-hexahydrobenzo[de]isoquinolin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylbenzamide
CID 170176501
4-[5-(2,7-dimethyl-1,3-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylbenzamide
CID 151750137
4-[5-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylbenzamide
CID 146274734
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,N-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 146274386
N,N-dimethyl-4-[5-[2-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 156778026
6-amino-3-[3-(4-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide
CID 172556696
5-[3-[4-(dimethylcarbamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(4-methylpiperazin-1-yl)benzamide
CID 146274485
3-chloro-N-cyclopropyl-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazolidin-2-ylidene]amino]benzamide
CID 136969790

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide (CID 154846002) is 3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc3[nH]cc(C4CC4)c3c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
The InChIKey is AKQIJXYNSRUWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-23(2)19(24)12-5-6-14(17(20)8-12)13-7-15-16(11-3-4-11)10-22-18(15)21-9-13/h5-11H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide?
3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide has a molecular weight of 339.83 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 154846002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).