N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine

C9H11N3 — CID 170200023

IUPACN,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCNc1c(C)cnc2[nH]ccc12
InChIInChI=1S/C9H11N3/c1-6-5-12-9-7(3-4-11-9)8(6)10-2/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyGJOJXNPFXXITCI-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.91
Rot. Bonds1

About N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine

N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 170200023) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID170200023
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCNc1c(C)cnc2[nH]ccc12
InChIInChI=1S/C9H11N3/c1-6-5-12-9-7(3-4-11-9)8(6)10-2/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyGJOJXNPFXXITCI-UHFFFAOYSA-N
XLogP1.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 122472434
5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine
CID 167269509
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
N-methyl-5-(5-methylsulfanyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;propane
CID 155717616
4,5-diiodo-1H-pyrrolo[2,3-b]pyridine
CID 129093662
N-[5-(3-bromoanilino)-2-methylphenyl]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 69191331
N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetamide
CID 90287303
4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 145006450
3-[(3R)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 162174537
N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781531
N-[5-[(2-tert-butylpyridine-4-carbonyl)amino]-2-methylphenyl]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 25119099
3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-amine
CID 67216423

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 170200023) is N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine is CNc1c(C)cnc2[nH]ccc12.
What is the InChIKey of N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is GJOJXNPFXXITCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-5-12-9-7(3-4-11-9)8(6)10-2/h3-5H,1-2H3,(H2,10,11,12).
What are the key properties of N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 161.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 170200023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).