N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine

C20H20N4 — CID 78324285

IUPACN'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine
SMILESCc1ccc2c(c1)[nH]c1nccc(-c3cccc(NCCN)c3)c12
InChIInChI=1S/C20H20N4/c1-13-5-6-17-18(11-13)24-20-19(17)16(7-9-23-20)14-3-2-4-15(12-14)22-10-8-21/h2-7,9,11-12,22H,8,10,21H2,1H3,(H,23,24)
InChIKeyPPOHGJJUQFCJFC-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.06
Rot. Bonds4

About N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine

N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine (PubChem CID 78324285) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine
PubChem CID78324285
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC NameN'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine
SMILESCc1ccc2c(c1)[nH]c1nccc(-c3cccc(NCCN)c3)c12
InChIInChI=1S/C20H20N4/c1-13-5-6-17-18(11-13)24-20-19(17)16(7-9-23-20)14-3-2-4-15(12-14)22-10-8-21/h2-7,9,11-12,22H,8,10,21H2,1H3,(H,23,24)
InChIKeyPPOHGJJUQFCJFC-UHFFFAOYSA-N
XLogP4.06
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine (CID 78324285) is N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine is Cc1ccc2c(c1)[nH]c1nccc(-c3cccc(NCCN)c3)c12.
What is the InChIKey of N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine?
The InChIKey is PPOHGJJUQFCJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-13-5-6-17-18(11-13)24-20-19(17)16(7-9-23-20)14-3-2-4-15(12-14)22-10-8-21/h2-7,9,11-12,22H,8,10,21H2,1H3,(H,23,24).
What are the key properties of N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine?
N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine has a molecular weight of 316.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(7-methyl-9H-pyrido[2,3-b]indol-4-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 78324285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).