1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

C19H29N5O — CID 133392211

IUPAC1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(c2cccc(C#N)n2)CC1
InChIInChI=1S/C19H29N5O/c1-19(2,14-23(3)4)13-21-18(25)15-8-10-24(11-9-15)17-7-5-6-16(12-20)22-17/h5-7,15H,8-11,13-14H2,1-4H3,(H,21,25)
InChIKeyFARLQZVRFBMQKP-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.87
Rot. Bonds6

About 1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (PubChem CID 133392211) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
PubChem CID133392211
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(c2cccc(C#N)n2)CC1
InChIInChI=1S/C19H29N5O/c1-19(2,14-23(3)4)13-21-18(25)15-8-10-24(11-9-15)17-7-5-6-16(12-20)22-17/h5-7,15H,8-11,13-14H2,1-4H3,(H,21,25)
InChIKeyFARLQZVRFBMQKP-UHFFFAOYSA-N
XLogP1.87
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (CID 133392211) is 1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is CN(C)CC(C)(C)CNC(=O)C1CCN(c2cccc(C#N)n2)CC1.
What is the InChIKey of 1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The InChIKey is FARLQZVRFBMQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-19(2,14-23(3)4)13-21-18(25)15-8-10-24(11-9-15)17-7-5-6-16(12-20)22-17/h5-7,15H,8-11,13-14H2,1-4H3,(H,21,25).
What are the key properties of 1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyano-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 133392211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).