1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride

C11H16ClN3O — CID 174984576

IUPAC1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CN(CCc2ccncc2)C1
InChIInChI=1S/C11H15N3O.ClH/c12-11(15)10-7-14(8-10)6-3-9-1-4-13-5-2-9;/h1-2,4-5,10H,3,6-8H2,(H2,12,15);1H
InChIKeyNFYMQYCLEXTJLV-UHFFFAOYSA-N
MW241.72 g/mol
LogP0.46
Rot. Bonds4

About 1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride

1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride (PubChem CID 174984576) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride
PubChem CID174984576
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CN(CCc2ccncc2)C1
InChIInChI=1S/C11H15N3O.ClH/c12-11(15)10-7-14(8-10)6-3-9-1-4-13-5-2-9;/h1-2,4-5,10H,3,6-8H2,(H2,12,15);1H
InChIKeyNFYMQYCLEXTJLV-UHFFFAOYSA-N
XLogP0.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
CID 79038488
1-methylsulfonyl-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 155902002
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 51081872
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
CID 97064914
[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 60904509
1-(oxan-4-yl)-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 127245419
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
(3aS,6aS)-5-(2-pyridin-4-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850452
3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one
CID 114508732

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride (CID 174984576) is 1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride is Cl.NC(=O)C1CN(CCc2ccncc2)C1.
What is the InChIKey of 1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride?
The InChIKey is NFYMQYCLEXTJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c12-11(15)10-7-14(8-10)6-3-9-1-4-13-5-2-9;/h1-2,4-5,10H,3,6-8H2,(H2,12,15);1H.
What are the key properties of 1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride?
1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 174984576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).