3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine

C17H20N4 — CID 115377244

IUPAC3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine
SMILESCc1ccc(NCc2c[nH]c3ncccc23)cc1N(C)C
InChIInChI=1S/C17H20N4/c1-12-6-7-14(9-16(12)21(2)3)19-10-13-11-20-17-15(13)5-4-8-18-17/h4-9,11,19H,10H2,1-3H3,(H,18,20)
InChIKeyDNZOEKCNMPOEJM-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.55
Rot. Bonds4

About 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine (PubChem CID 115377244) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine
PubChem CID115377244
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine
SMILESCc1ccc(NCc2c[nH]c3ncccc23)cc1N(C)C
InChIInChI=1S/C17H20N4/c1-12-6-7-14(9-16(12)21(2)3)19-10-13-11-20-17-15(13)5-4-8-18-17/h4-9,11,19H,10H2,1-3H3,(H,18,20)
InChIKeyDNZOEKCNMPOEJM-UHFFFAOYSA-N
XLogP3.55
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine with MolForge

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Related Compounds

1-N-[(2-methoxy-3-pyridinyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378060
4-bromo-1-N,1-N-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,2-diamine
CID 66416413
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 66416394
3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 115376609
3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377275
4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
CID 66415295
2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279
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
1-N-(1-benzothiophen-3-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115377092

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine (CID 115377244) is 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine is Cc1ccc(NCc2c[nH]c3ncccc23)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine?
The InChIKey is DNZOEKCNMPOEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-6-7-14(9-16(12)21(2)3)19-10-13-11-20-17-15(13)5-4-8-18-17/h4-9,11,19H,10H2,1-3H3,(H,18,20).
What are the key properties of 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 115377244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).