5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine

C14H18ClN5O — CID 141175812

IUPAC5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESClc1[nH]cnc1-c1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C14H18ClN5O/c15-14-13(18-10-19-14)11-1-2-12(17-9-11)16-3-4-20-5-7-21-8-6-20/h1-2,9-10H,3-8H2,(H,16,17)(H,18,19)
InChIKeyKOYWBVNLFWNCSZ-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.87
Rot. Bonds5

About 5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine

5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine (PubChem CID 141175812) has the molecular formula C14H18ClN5O and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine
PubChem CID141175812
Molecular FormulaC14H18ClN5O
Molecular Weight307.78 g/mol
Exact Mass307.12
IUPAC Name5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESClc1[nH]cnc1-c1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C14H18ClN5O/c15-14-13(18-10-19-14)11-1-2-12(17-9-11)16-3-4-20-5-7-21-8-6-20/h1-2,9-10H,3-8H2,(H,16,17)(H,18,19)
InChIKeyKOYWBVNLFWNCSZ-UHFFFAOYSA-N
XLogP1.87
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine (CID 141175812) is 5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine is Clc1[nH]cnc1-c1ccc(NCCN2CCOCC2)nc1.
What is the InChIKey of 5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The InChIKey is KOYWBVNLFWNCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c15-14-13(18-10-19-14)11-1-2-12(17-9-11)16-3-4-20-5-7-21-8-6-20/h1-2,9-10H,3-8H2,(H,16,17)(H,18,19).
What are the key properties of 5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine has a molecular weight of 307.78 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 141175812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).