N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide

C22H22N4O3 — CID 138562370

IUPACN-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(C3(C(=O)Nc4cc(C)no4)CCC3)cc2)ccn1
InChIInChI=1S/C22H22N4O3/c1-14-12-19(29-26-14)25-21(28)22(9-3-10-22)17-6-4-15(5-7-17)16-8-11-24-18(13-16)20(27)23-2/h4-8,11-13H,3,9-10H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyBVUJGTOLSTZFRW-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.47
Rot. Bonds5

About N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide

N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide (PubChem CID 138562370) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide
PubChem CID138562370
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(C3(C(=O)Nc4cc(C)no4)CCC3)cc2)ccn1
InChIInChI=1S/C22H22N4O3/c1-14-12-19(29-26-14)25-21(28)22(9-3-10-22)17-6-4-15(5-7-17)16-8-11-24-18(13-16)20(27)23-2/h4-8,11-13H,3,9-10H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyBVUJGTOLSTZFRW-UHFFFAOYSA-N
XLogP3.47
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[4-[1-[(5-chloropyrimidin-2-yl)carbamoyl]cyclobutyl]phenyl]-N-methylpyridine-2-carboxamide
CID 138562428
1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 163598398
2-[1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 65486610
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
N-[2-(methylamino)-4-pyridinyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 71127043
2-(1-aminocyclopentyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64683322
4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
CID 122180068
3-methyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132333
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 3076186
6-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyridazine-3-carboxamide
CID 60859349
5-chloro-N-(3-methyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
CID 107371739
1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 2521715

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide (CID 138562370) is N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide is CNC(=O)c1cc(-c2ccc(C3(C(=O)Nc4cc(C)no4)CCC3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide?
The InChIKey is BVUJGTOLSTZFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-12-19(29-26-14)25-21(28)22(9-3-10-22)17-6-4-15(5-7-17)16-8-11-24-18(13-16)20(27)23-2/h4-8,11-13H,3,9-10H2,1-2H3,(H,23,27)(H,25,28).
What are the key properties of N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide?
N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclobutyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 138562370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).