N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide

C14H18N4O — CID 63627666

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C14H18N4O/c1-11-3-2-7-16-13(11)14(19)17-12-4-8-18(9-5-12)10-6-15/h2-3,7,12H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyPVTUFCHIDXXMGC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds3

About N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide

N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide (PubChem CID 63627666) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
PubChem CID63627666
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC1CCN(CC#N)CC1
InChIInChI=1S/C14H18N4O/c1-11-3-2-7-16-13(11)14(19)17-12-4-8-18(9-5-12)10-6-15/h2-3,7,12H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyPVTUFCHIDXXMGC-UHFFFAOYSA-N
XLogP1.11
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-[1-(cyanomethyl)piperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 63626427
N-[1-(cyanomethyl)piperidin-4-yl]-3,5-dimethylbenzamide
CID 63625203
4-chloro-N-[1-(cyanomethyl)piperidin-4-yl]-3-methylbenzamide
CID 115694687
N-[1-(cyanomethyl)piperidin-4-yl]-4-fluoro-3-methylbenzamide
CID 63625209
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide
CID 55247297
N-[1-(cyanomethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627664
N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63625025
N-[1-(cyanomethyl)piperidin-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 63627481
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901
N-(1-ethylpiperidin-4-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146089271

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide (CID 63627666) is N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC1CCN(CC#N)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is PVTUFCHIDXXMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-3-2-7-16-13(11)14(19)17-12-4-8-18(9-5-12)10-6-15/h2-3,7,12H,4-5,8-10H2,1H3,(H,17,19).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide?
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 63627666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).