3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine

C15H16ClN3O2 — CID 91773034

IUPAC3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine
SMILESClc1cccnc1N[C@@H]1CCOC[C@H]1Oc1ccccn1
InChIInChI=1S/C15H16ClN3O2/c16-11-4-3-8-18-15(11)19-12-6-9-20-10-13(12)21-14-5-1-2-7-17-14/h1-5,7-8,12-13H,6,9-10H2,(H,18,19)/t12-,13-/m1/s1
InChIKeyNTVXJYGKZRDCPL-CHWSQXEVSA-N
MW305.76 g/mol
LogP2.78
Rot. Bonds4

About 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine

3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine (PubChem CID 91773034) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine
PubChem CID91773034
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine
SMILESClc1cccnc1N[C@@H]1CCOC[C@H]1Oc1ccccn1
InChIInChI=1S/C15H16ClN3O2/c16-11-4-3-8-18-15(11)19-12-6-9-20-10-13(12)21-14-5-1-2-7-17-14/h1-5,7-8,12-13H,6,9-10H2,(H,18,19)/t12-,13-/m1/s1
InChIKeyNTVXJYGKZRDCPL-CHWSQXEVSA-N
XLogP2.78
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine (CID 91773034) is 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine is Clc1cccnc1N[C@@H]1CCOC[C@H]1Oc1ccccn1.
What is the InChIKey of 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine?
The InChIKey is NTVXJYGKZRDCPL-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-4-3-8-18-15(11)19-12-6-9-20-10-13(12)21-14-5-1-2-7-17-14/h1-5,7-8,12-13H,6,9-10H2,(H,18,19)/t12-,13-/m1/s1.
What are the key properties of 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine?
3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine has a molecular weight of 305.76 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pyridin-2-amine is sourced from PubChem (CID 91773034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).