6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide

C17H25N3O — CID 166365272

IUPAC6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide
SMILESCc1c(NC(=O)CCCCC(C)(C)C)cnc2[nH]ccc12
InChIInChI=1S/C17H25N3O/c1-12-13-8-10-18-16(13)19-11-14(12)20-15(21)7-5-6-9-17(2,3)4/h8,10-11H,5-7,9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyLWYZUHGDXNAEQZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.42
Rot. Bonds5

About 6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide

6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide (PubChem CID 166365272) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide.

Molecular Properties

Compound Name6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide
PubChem CID166365272
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide
SMILESCc1c(NC(=O)CCCCC(C)(C)C)cnc2[nH]ccc12
InChIInChI=1S/C17H25N3O/c1-12-13-8-10-18-16(13)19-11-14(12)20-15(21)7-5-6-9-17(2,3)4/h8,10-11H,5-7,9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyLWYZUHGDXNAEQZ-UHFFFAOYSA-N
XLogP4.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetamide
CID 90287303
1-(1-hydroxy-2-methylhexan-2-yl)-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)urea
CID 166280991
N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,4-dithiane-2-carboxamide
CID 136561586
7,7-dimethyl-N-phenyloctanamide
CID 68837139
1-methyl-3-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(1-oxothian-4-yl)urea
CID 167863057
3-(5,5-dimethylhexanoylamino)-4,5-dimethoxybenzoic acid
CID 119214383
N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
CID 119440882
N-[2-(2,2-dimethylpentanoylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166365569
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119706198
5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide
CID 56825627
4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 121267960
methyl 4-(4-chlorobutanoylamino)-1H-indole-6-carboxylate
CID 69359458

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide?
The IUPAC name of 6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide (CID 166365272) is 6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide.
What is the SMILES notation for 6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide?
The canonical SMILES for 6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide is Cc1c(NC(=O)CCCCC(C)(C)C)cnc2[nH]ccc12.
What is the InChIKey of 6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide?
The InChIKey is LWYZUHGDXNAEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-13-8-10-18-16(13)19-11-14(12)20-15(21)7-5-6-9-17(2,3)4/h8,10-11H,5-7,9H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide?
6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide has a molecular weight of 287.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)heptanamide is sourced from PubChem (CID 166365272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).