6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide

C19H21ClN4O — CID 53145168

IUPAC6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide
SMILESCC(C)Cn1cc(CCNC(=O)c2ccc(Cl)nc2)c2cccnc21
InChIInChI=1S/C19H21ClN4O/c1-13(2)11-24-12-15(16-4-3-8-21-18(16)24)7-9-22-19(25)14-5-6-17(20)23-10-14/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,22,25)
InChIKeyQKYPWZWBZNJNDU-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.71
Rot. Bonds6

About 6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide

6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide (PubChem CID 53145168) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide
PubChem CID53145168
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide
SMILESCC(C)Cn1cc(CCNC(=O)c2ccc(Cl)nc2)c2cccnc21
InChIInChI=1S/C19H21ClN4O/c1-13(2)11-24-12-15(16-4-3-8-21-18(16)24)7-9-22-19(25)14-5-6-17(20)23-10-14/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,22,25)
InChIKeyQKYPWZWBZNJNDU-UHFFFAOYSA-N
XLogP3.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53144962
2-chloro-5-fluoro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzamide
CID 53145176
1-(2-chloro-4-methylphenyl)-3-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea
CID 53144717
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53145099
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
CID 53144995
1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144930
1-(4-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144929
3-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144908
N-[4-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 53144886
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
1-[(2R)-butan-2-yl]-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 95095604
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide (CID 53145168) is 6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide is CC(C)Cn1cc(CCNC(=O)c2ccc(Cl)nc2)c2cccnc21.
What is the InChIKey of 6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is QKYPWZWBZNJNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-13(2)11-24-12-15(16-4-3-8-21-18(16)24)7-9-22-19(25)14-5-6-17(20)23-10-14/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,22,25).
What are the key properties of 6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 356.86 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 53145168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).