N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide

C17H24N4O2 — CID 45487750

IUPACN-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C#N)cn1
InChIInChI=1S/C17H24N4O2/c1-4-17(2,3)16(22)20-15-9-13(14(10-18)11-19-15)12-21-5-7-23-8-6-21/h9,11H,4-8,12H2,1-3H3,(H,19,20,22)
InChIKeyZLNCKCGHGNMTJQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.16
Rot. Bonds5

About N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide

N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide (PubChem CID 45487750) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
PubChem CID45487750
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C#N)cn1
InChIInChI=1S/C17H24N4O2/c1-4-17(2,3)16(22)20-15-9-13(14(10-18)11-19-15)12-21-5-7-23-8-6-21/h9,11H,4-8,12H2,1-3H3,(H,19,20,22)
InChIKeyZLNCKCGHGNMTJQ-UHFFFAOYSA-N
XLogP2.16
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Cyanopyridin-2-yl)piperidine-4-carboxamide
CID 2813162
6-Morpholinonicotinonitrile
CID 2737021
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
CID 25222059
2-(Morpholin-4-yl)pyridine-3-carbonitrile
CID 2763852
2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)butanamide
CID 24884489
N-(5-ethyl-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 24952500
1,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclohexanecarboxamide
CID 24956045
2,2-dimethyl-N-(6-methyl-4-(morpholinomethyl)pyridin-2-yl)butanamide
CID 24956409
1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclopentanecarboxamide
CID 45487684
1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclohexanecarboxamide
CID 45487685
N-(5-amino-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 45487760
N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)pivalamide
CID 45487771

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide (CID 45487750) is N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C#N)cn1.
What is the InChIKey of N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The InChIKey is ZLNCKCGHGNMTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-17(2,3)16(22)20-15-9-13(14(10-18)11-19-15)12-21-5-7-23-8-6-21/h9,11H,4-8,12H2,1-3H3,(H,19,20,22).
What are the key properties of N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide has a molecular weight of 316.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 45487750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).