methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate

C19H20N2O3 — CID 134001978

IUPACmethyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCC2)nc1
InChIInChI=1S/C19H20N2O3/c1-24-18(23)14-8-9-16(20-12-14)17(22)21-13-19(10-5-11-19)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,22)
InChIKeyRCQATZQZPRLROU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.72
Rot. Bonds5

About methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate

methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate (PubChem CID 134001978) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate
PubChem CID134001978
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCC2)nc1
InChIInChI=1S/C19H20N2O3/c1-24-18(23)14-8-9-16(20-12-14)17(22)21-13-19(10-5-11-19)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,22)
InChIKeyRCQATZQZPRLROU-UHFFFAOYSA-N
XLogP2.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 52556515
N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 110475489
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate
CID 134038073
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63829285
4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
CID 56546048
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 1120192
3-(methoxymethyl)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 51316458
methyl 4-[1-(hydroxymethyl)cyclobutyl]benzoate
CID 164643853
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate (CID 134001978) is methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCC2)nc1.
What is the InChIKey of methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is RCQATZQZPRLROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-18(23)14-8-9-16(20-12-14)17(22)21-13-19(10-5-11-19)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,22).
What are the key properties of methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate?
methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 134001978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).