4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine

C14H14N4 — CID 66415295

IUPAC4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
SMILESCc1ccncc1NCc1c[nH]c2ncccc12
InChIInChI=1S/C14H14N4/c1-10-4-6-15-9-13(10)17-7-11-8-18-14-12(11)3-2-5-16-14/h2-6,8-9,17H,7H2,1H3,(H,16,18)
InChIKeyVRAJJAJTDLUCJB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.88
Rot. Bonds3

About 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine

4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine (PubChem CID 66415295) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
PubChem CID66415295
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
SMILESCc1ccncc1NCc1c[nH]c2ncccc12
InChIInChI=1S/C14H14N4/c1-10-4-6-15-9-13(10)17-7-11-8-18-14-12(11)3-2-5-16-14/h2-6,8-9,17H,7H2,1H3,(H,16,18)
InChIKeyVRAJJAJTDLUCJB-UHFFFAOYSA-N
XLogP2.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416780
2,5-difluoro-4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 103584688
4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzonitrile
CID 66415469
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine
CID 107587617
2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide
CID 66416408
2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415020
2,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414633
3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377244
4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 63329318
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2,6-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416280
2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414248

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine (CID 66415295) is 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine is Cc1ccncc1NCc1c[nH]c2ncccc12.
What is the InChIKey of 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine?
The InChIKey is VRAJJAJTDLUCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-4-6-15-9-13(10)17-7-11-8-18-14-12(11)3-2-5-16-14/h2-6,8-9,17H,7H2,1H3,(H,16,18).
What are the key properties of 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine?
4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine has a molecular weight of 238.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 66415295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).