1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C16H22N4O2 — CID 53162858

IUPAC1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCCCN2CCOCC2)c2cccnc21
InChIInChI=1S/C16H22N4O2/c1-19-12-14(13-4-2-5-17-15(13)19)16(21)18-6-3-7-20-8-10-22-11-9-20/h2,4-5,12H,3,6-11H2,1H3,(H,18,21)
InChIKeyUQQJOPMYXQOSFP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.03
Rot. Bonds5

About 1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide

1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162858) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162858
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NCCCN2CCOCC2)c2cccnc21
InChIInChI=1S/C16H22N4O2/c1-19-12-14(13-4-2-5-17-15(13)19)16(21)18-6-3-7-20-8-10-22-11-9-20/h2,4-5,12H,3,6-11H2,1H3,(H,18,21)
InChIKeyUQQJOPMYXQOSFP-UHFFFAOYSA-N
XLogP1.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53144407
N-(3-morpholin-4-ylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949073
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
CID 71701659
2-(2-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 8009401
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
7-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440419
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 53144310
1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624113
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylbutyl)pyridine-3-carboxamide
CID 55848827
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162858) is 1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide is Cn1cc(C(=O)NCCCN2CCOCC2)c2cccnc21.
What is the InChIKey of 1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is UQQJOPMYXQOSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19-12-14(13-4-2-5-17-15(13)19)16(21)18-6-3-7-20-8-10-22-11-9-20/h2,4-5,12H,3,6-11H2,1H3,(H,18,21).
What are the key properties of 1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).