4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine

C20H20N4 — CID 69354629

IUPAC4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine
SMILESCCn1c2ccccc2c2cc(Cc3ccnc(N)c3N)ccc21
InChIInChI=1S/C20H20N4/c1-2-24-17-6-4-3-5-15(17)16-12-13(7-8-18(16)24)11-14-9-10-23-20(22)19(14)21/h3-10,12H,2,11,21H2,1H3,(H2,22,23)
InChIKeyLOWCLKUAJMVQBZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.96
Rot. Bonds3

About 4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine

4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine (PubChem CID 69354629) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine
PubChem CID69354629
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine
SMILESCCn1c2ccccc2c2cc(Cc3ccnc(N)c3N)ccc21
InChIInChI=1S/C20H20N4/c1-2-24-17-6-4-3-5-15(17)16-12-13(7-8-18(16)24)11-14-9-10-23-20(22)19(14)21/h3-10,12H,2,11,21H2,1H3,(H2,22,23)
InChIKeyLOWCLKUAJMVQBZ-UHFFFAOYSA-N
XLogP3.96
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
CID 153374745
10-[(9-ethylcarbazol-3-yl)methyl]imidazo[1,2-f]phenanthridine
CID 59358485
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
4-[(9-ethylcarbazol-3-yl)methyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537699
9-ethyl-3-[3-(2-methylphenyl)propyl]carbazole
CID 159633776
9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole
CID 91058956
N,N-bis[(9-ethylcarbazol-3-yl)methyl]ethanamine
CID 160567842
anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine
CID 159856666
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
3-amino-4-[(9-ethylcarbazol-3-yl)methylamino]cyclobut-3-ene-1,2-dione
CID 167951604
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647

Frequently Asked Questions

What is the IUPAC name of 4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine (CID 69354629) is 4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine is CCn1c2ccccc2c2cc(Cc3ccnc(N)c3N)ccc21.
What is the InChIKey of 4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine?
The InChIKey is LOWCLKUAJMVQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-2-24-17-6-4-3-5-15(17)16-12-13(7-8-18(16)24)11-14-9-10-23-20(22)19(14)21/h3-10,12H,2,11,21H2,1H3,(H2,22,23).
What are the key properties of 4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine?
4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9-ethylcarbazol-3-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 69354629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).