5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide

C16H22N4O — CID 106626546

IUPAC5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C16H22N4O/c1-12(2)20(11-14-5-3-4-8-18-14)16(21)15-7-6-13(9-17)10-19-15/h6-7,10,12,14,18H,3-5,8,11H2,1-2H3
InChIKeyLDNJITGHPLVXKH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.95
Rot. Bonds4

About 5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide

5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 106626546) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID106626546
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C16H22N4O/c1-12(2)20(11-14-5-3-4-8-18-14)16(21)15-7-6-13(9-17)10-19-15/h6-7,10,12,14,18H,3-5,8,11H2,1-2H3
InChIKeyLDNJITGHPLVXKH-UHFFFAOYSA-N
XLogP1.95
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609890
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106642122
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
N-(piperidin-2-ylmethyl)-N,4-di(propan-2-yl)thiadiazole-5-carboxamide
CID 106626410
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106626695
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106626904
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide (CID 106626546) is 5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(CC1CCCCN1)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is LDNJITGHPLVXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)20(11-14-5-3-4-8-18-14)16(21)15-7-6-13(9-17)10-19-15/h6-7,10,12,14,18H,3-5,8,11H2,1-2H3.
What are the key properties of 5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide?
5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 106626546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).