N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine

C19H14ClN3 — CID 15602885

IUPACN-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine
SMILESClc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H14ClN3/c20-14-9-13(17-4-1-5-19-18(17)6-8-22-19)10-16(11-14)23-15-3-2-7-21-12-15/h1-12,22-23H
InChIKeyDGHKBCLYABDREW-UHFFFAOYSA-N
MW319.80 g/mol
LogP5.63
Rot. Bonds3

About N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine

N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine (PubChem CID 15602885) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine
PubChem CID15602885
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC NameN-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine
SMILESClc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H14ClN3/c20-14-9-13(17-4-1-5-19-18(17)6-8-22-19)10-16(11-14)23-15-3-2-7-21-12-15/h1-12,22-23H
InChIKeyDGHKBCLYABDREW-UHFFFAOYSA-N
XLogP5.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.80
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine?
The IUPAC name of N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine (CID 15602885) is N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine.
What is the SMILES notation for N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine?
The canonical SMILES for N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine is Clc1cc(Nc2cccnc2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine?
The InChIKey is DGHKBCLYABDREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3/c20-14-9-13(17-4-1-5-19-18(17)6-8-22-19)10-16(11-14)23-15-3-2-7-21-12-15/h1-12,22-23H.
What are the key properties of N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine?
N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine has a molecular weight of 319.80 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(1H-indol-4-yl)phenyl]pyridin-3-amine is sourced from PubChem (CID 15602885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).