N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide

C15H20N4O — CID 171323471

IUPACN-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(C#N)c(N2CC(NC(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C15H20N4O/c1-10-5-6-11(7-16)13(17-10)19-8-12(9-19)18-14(20)15(2,3)4/h5-6,12H,8-9H2,1-4H3,(H,18,20)
InChIKeyNCJUOHDZWJLBTN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.61
Rot. Bonds2

About N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide

N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 171323471) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide
PubChem CID171323471
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(C#N)c(N2CC(NC(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C15H20N4O/c1-10-5-6-11(7-16)13(17-10)19-8-12(9-19)18-14(20)15(2,3)4/h5-6,12H,8-9H2,1-4H3,(H,18,20)
InChIKeyNCJUOHDZWJLBTN-UHFFFAOYSA-N
XLogP1.61
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyano-6-methyl-2-pyridinyl)-N-cyclopropylazetidine-3-carboxamide
CID 171327976
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
2-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681931
6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
CID 57401602
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 172899335
2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 171994335
2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide
CID 171323570
1-(3-cyano-6-methyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431329
2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
CID 62232169
tert-butyl N-[(3S)-1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 71503698
2-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetaldehyde
CID 158047653
acetic acid;[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66879573

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide (CID 171323471) is N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide is Cc1ccc(C#N)c(N2CC(NC(=O)C(C)(C)C)C2)n1.
What is the InChIKey of N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is NCJUOHDZWJLBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-5-6-11(7-16)13(17-10)19-8-12(9-19)18-14(20)15(2,3)4/h5-6,12H,8-9H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 171323471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).