2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile

C10H12N4 — CID 121209893

IUPAC2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile
SMILESN#CC(NC1CNC1)c1cccnc1
InChIInChI=1S/C10H12N4/c11-4-10(14-9-6-13-7-9)8-2-1-3-12-5-8/h1-3,5,9-10,13-14H,6-7H2
InChIKeyUNFRLIRFZXTRJE-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.21
Rot. Bonds3

About 2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile

2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile (PubChem CID 121209893) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile
PubChem CID121209893
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile
SMILESN#CC(NC1CNC1)c1cccnc1
InChIInChI=1S/C10H12N4/c11-4-10(14-9-6-13-7-9)8-2-1-3-12-5-8/h1-3,5,9-10,13-14H,6-7H2
InChIKeyUNFRLIRFZXTRJE-UHFFFAOYSA-N
XLogP0.21
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
2-(methylamino)-2-pyridin-3-ylacetonitrile
CID 43115040
2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile
CID 60995530
N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
CID 82117028
N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749
2-cyclohexyl-2-pyridin-3-ylacetonitrile
CID 82931254
2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
CID 61005449
2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile
CID 54887346
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112
(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695
(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile (CID 121209893) is 2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile is N#CC(NC1CNC1)c1cccnc1.
What is the InChIKey of 2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile?
The InChIKey is UNFRLIRFZXTRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-4-10(14-9-6-13-7-9)8-2-1-3-12-5-8/h1-3,5,9-10,13-14H,6-7H2.
What are the key properties of 2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile?
2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile has a molecular weight of 188.23 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 121209893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).