N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide

C17H22N4O — CID 131912368

IUPACN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2CCN(c3ncccc3C#N)CC2)CC1
InChIInChI=1S/C17H22N4O/c1-17(6-7-17)16(22)20-12-13-4-9-21(10-5-13)15-14(11-18)3-2-8-19-15/h2-3,8,13H,4-7,9-10,12H2,1H3,(H,20,22)
InChIKeyPEVNEWBMNYJLBV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.09
Rot. Bonds4

About N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 131912368) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID131912368
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2CCN(c3ncccc3C#N)CC2)CC1
InChIInChI=1S/C17H22N4O/c1-17(6-7-17)16(22)20-12-13-4-9-21(10-5-13)15-14(11-18)3-2-8-19-15/h2-3,8,13H,4-7,9-10,12H2,1H3,(H,20,22)
InChIKeyPEVNEWBMNYJLBV-UHFFFAOYSA-N
XLogP2.09
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
1-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 121109003
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 121108927
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121108885
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 95378636
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,3-dimethoxybenzamide
CID 121108934
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
1-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(3,4-dimethylphenyl)urea
CID 121108998
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(dimethylamino)benzamide
CID 72716920

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 131912368) is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCC2CCN(c3ncccc3C#N)CC2)CC1.
What is the InChIKey of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is PEVNEWBMNYJLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-17(6-7-17)16(22)20-12-13-4-9-21(10-5-13)15-14(11-18)3-2-8-19-15/h2-3,8,13H,4-7,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 131912368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).