N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine

C14H21N3O — CID 95846768

IUPACN-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
SMILESc1cc(NC2CCOCC2)nc([C@@H]2CCCN2)c1
InChIInChI=1S/C14H21N3O/c1-3-13(12-4-2-8-15-12)17-14(5-1)16-11-6-9-18-10-7-11/h1,3,5,11-12,15H,2,4,6-10H2,(H,16,17)/t12-/m0/s1
InChIKeyFUBDYPWKSNJSKG-LBPRGKRZSA-N
MW247.34 g/mol
LogP2.10
Rot. Bonds3

About N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine

N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine (PubChem CID 95846768) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
PubChem CID95846768
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
SMILESc1cc(NC2CCOCC2)nc([C@@H]2CCCN2)c1
InChIInChI=1S/C14H21N3O/c1-3-13(12-4-2-8-15-12)17-14(5-1)16-11-6-9-18-10-7-11/h1,3,5,11-12,15H,2,4,6-10H2,(H,16,17)/t12-/m0/s1
InChIKeyFUBDYPWKSNJSKG-LBPRGKRZSA-N
XLogP2.10
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(6-pyrrolidin-2-yl-2-pyridinyl)pyridin-2-amine;hydrochloride
CID 71298661
6-N-(oxan-4-yl)pyridine-2,6-diamine
CID 80648181
N-cyclopentyl-2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
CID 95846278
2-morpholin-3-yl-N-(oxan-4-yl)pyrimidin-4-amine
CID 131639803
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
2-fluoro-6-[(2R)-pyrrolidin-2-yl]pyridine
CID 131118553
N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95846439
4-methyl-N-(6-pyrrolidin-2-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 73439798
4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane
CID 95846671
5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine
CID 70795336
6-[(2R)-pyrrolidin-2-yl]pyridine-2-carbaldehyde
CID 87404647
N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine
CID 97484647

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine (CID 95846768) is N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine is c1cc(NC2CCOCC2)nc([C@@H]2CCCN2)c1.
What is the InChIKey of N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is FUBDYPWKSNJSKG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-13(12-4-2-8-15-12)17-14(5-1)16-11-6-9-18-10-7-11/h1,3,5,11-12,15H,2,4,6-10H2,(H,16,17)/t12-/m0/s1.
What are the key properties of N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine?
N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 95846768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).