N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

C19H22N4O — CID 57483005

IUPACN-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESCN(C)CCCNC(=O)c1cccc(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C19H22N4O/c1-23(2)12-4-9-22-19(24)15-6-3-5-14(13-15)16-7-10-20-18-17(16)8-11-21-18/h3,5-8,10-11,13H,4,9,12H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyPEMRLJYXXVGIHR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.91
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 57483005) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID57483005
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESCN(C)CCCNC(=O)c1cccc(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C19H22N4O/c1-23(2)12-4-9-22-19(24)15-6-3-5-14(13-15)16-7-10-20-18-17(16)8-11-21-18/h3,5-8,10-11,13H,4,9,12H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyPEMRLJYXXVGIHR-UHFFFAOYSA-N
XLogP2.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 160642288
N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57483025
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-(3-amino-1H-indazol-5-yl)-N-[3-(dimethylamino)propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 170351912
2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168292
2-bromo-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 103755357
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-N-[3-(dimethylamino)propyl]benzamide
CID 58103381

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 57483005) is N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is CN(C)CCCNC(=O)c1cccc(-c2ccnc3[nH]ccc23)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is PEMRLJYXXVGIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23(2)12-4-9-22-19(24)15-6-3-5-14(13-15)16-7-10-20-18-17(16)8-11-21-18/h3,5-8,10-11,13H,4,9,12H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 57483005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).