5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C19H19ClN4O2 — CID 11406085

IUPAC5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCN(C)C(=O)C(Cc1ccccc1)NC(=O)c1c[nH]c2ccc(Cl)nc12
InChIInChI=1S/C19H19ClN4O2/c1-24(2)19(26)15(10-12-6-4-3-5-7-12)22-18(25)13-11-21-14-8-9-16(20)23-17(13)14/h3-9,11,15,21H,10H2,1-2H3,(H,22,25)
InChIKeyAWPMPMSINMDMNN-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.65
Rot. Bonds5

About 5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 11406085) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID11406085
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCN(C)C(=O)C(Cc1ccccc1)NC(=O)c1c[nH]c2ccc(Cl)nc12
InChIInChI=1S/C19H19ClN4O2/c1-24(2)19(26)15(10-12-6-4-3-5-7-12)22-18(25)13-11-21-14-8-9-16(20)23-17(13)14/h3-9,11,15,21H,10H2,1-2H3,(H,22,25)
InChIKeyAWPMPMSINMDMNN-UHFFFAOYSA-N
XLogP2.65
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 11406085) is 5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is CN(C)C(=O)C(Cc1ccccc1)NC(=O)c1c[nH]c2ccc(Cl)nc12.
What is the InChIKey of 5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is AWPMPMSINMDMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-24(2)19(26)15(10-12-6-4-3-5-7-12)22-18(25)13-11-21-14-8-9-16(20)23-17(13)14/h3-9,11,15,21H,10H2,1-2H3,(H,22,25).
What are the key properties of 5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 11406085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).