1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine

C21H21N3 — CID 4722575

IUPAC1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCCn1c2ccccc2c2cc(CNCc3cccnc3)ccc21
InChIInChI=1S/C21H21N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)13-23-15-17-6-5-11-22-14-17/h3-12,14,23H,2,13,15H2,1H3
InChIKeyGAVUWQFIRGBDHN-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.50
Rot. Bonds5

About 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine

1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 4722575) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID4722575
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCCn1c2ccccc2c2cc(CNCc3cccnc3)ccc21
InChIInChI=1S/C21H21N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)13-23-15-17-6-5-11-22-14-17/h3-12,14,23H,2,13,15H2,1H3
InChIKeyGAVUWQFIRGBDHN-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine (CID 4722575) is 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine is CCn1c2ccccc2c2cc(CNCc3cccnc3)ccc21.
What is the InChIKey of 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is GAVUWQFIRGBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)13-23-15-17-6-5-11-22-14-17/h3-12,14,23H,2,13,15H2,1H3.
What are the key properties of 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine?
1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 315.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 4722575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).