N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide

C19H23N3O — CID 125447718

IUPACN-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)N1CC(c2ccccn2)C1
InChIInChI=1S/C19H23N3O/c1-15(10-11-16-7-3-2-4-8-16)21-19(23)22-13-17(14-22)18-9-5-6-12-20-18/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyWLOMWFVXIBPSHV-OAHLLOKOSA-N
MW309.41 g/mol
LogP3.21
Rot. Bonds5

About N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide

N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide (PubChem CID 125447718) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
PubChem CID125447718
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)N1CC(c2ccccn2)C1
InChIInChI=1S/C19H23N3O/c1-15(10-11-16-7-3-2-4-8-16)21-19(23)22-13-17(14-22)18-9-5-6-12-20-18/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyWLOMWFVXIBPSHV-OAHLLOKOSA-N
XLogP3.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 47015071
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-1-carboxamide
CID 125442891
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 71785218
2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618419
4-hydroxy-N-(4-phenylbutan-2-yl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 122571241
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
2-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 124878067
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide (CID 125447718) is N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide is C[C@H](CCc1ccccc1)NC(=O)N1CC(c2ccccn2)C1.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide?
The InChIKey is WLOMWFVXIBPSHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15(10-11-16-7-3-2-4-8-16)21-19(23)22-13-17(14-22)18-9-5-6-12-20-18/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide?
N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 125447718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).