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

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Related Compounds

4-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]phthalazin-1-amine
CID 91774901
4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol
CID 130727372
3-(1,2-oxazolidin-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91772511
N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91787905
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487
3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide
CID 156608868
6-cyclopropyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidin-4-amine
CID 91771738
3-fluoro-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridin-4-amine
CID 91765729
2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide
CID 91761769
2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide
CID 91772566
3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91790641

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).