5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate

C19H20ClN3O3 — CID 142971269

IUPAC5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate
SMILESCOC(=O)CCCc1ccccc1.NC(=O)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C11H14O2.C8H6ClN3O/c1-13-11(12)9-5-8-10-6-3-2-4-7-10;9-7-2-4-1-5(8(10)13)12-6(4)3-11-7/h2-4,6-7H,5,8-9H2,1H3;1-3,12H,(H2,10,13)
InChIKeyJNRYUYBTPQAGGE-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.50
Rot. Bonds5

About 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate

5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate (PubChem CID 142971269) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate.

Molecular Properties

Compound Name5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate
PubChem CID142971269
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate
SMILESCOC(=O)CCCc1ccccc1.NC(=O)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C11H14O2.C8H6ClN3O/c1-13-11(12)9-5-8-10-6-3-2-4-7-10;9-7-2-4-1-5(8(10)13)12-6(4)3-11-7/h2-4,6-7H,5,8-9H2,1H3;1-3,12H,(H2,10,13)
InChIKeyJNRYUYBTPQAGGE-UHFFFAOYSA-N
XLogP3.50
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate
CID 87844066
5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753653
5-chloro-N-[(2R,3R)-3-hydroxy-4-(2-hydroxyethylamino)-4-oxo-1-phenylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753621
methyl 11-(4-phenylbutylamino)undecanoate
CID 167433431
5-chloro-N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753679
benzamide;methyl 3-phenylpropanoate
CID 154677392
methyl 3-oxo-6-phenylhexanoate
CID 12701554
methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate
CID 10589054
methyl 4-quinolin-6-ylbutanoate
CID 116997352
methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate
CID 67836238
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
methyl 4-(3-hydroxyphenyl)butanoate
CID 54142007

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate?
The IUPAC name of 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate (CID 142971269) is 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate.
What is the SMILES notation for 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate?
The canonical SMILES for 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate is COC(=O)CCCc1ccccc1.NC(=O)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate?
The InChIKey is JNRYUYBTPQAGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C8H6ClN3O/c1-13-11(12)9-5-8-10-6-3-2-4-7-10;9-7-2-4-1-5(8(10)13)12-6(4)3-11-7/h2-4,6-7H,5,8-9H2,1H3;1-3,12H,(H2,10,13).
What are the key properties of 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate?
5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate has a molecular weight of 373.84 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 4-phenylbutanoate is sourced from PubChem (CID 142971269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).