4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile

C13H15ClN4O2 — CID 114924047

IUPAC4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
SMILESCCNc1cc(C(=O)N2CCOC(C#N)C2)c(Cl)cn1
InChIInChI=1S/C13H15ClN4O2/c1-2-16-12-5-10(11(14)7-17-12)13(19)18-3-4-20-9(6-15)8-18/h5,7,9H,2-4,8H2,1H3,(H,16,17)
InChIKeyXKKSNXWGGHVRQS-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.53
Rot. Bonds3

About 4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile

4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile (PubChem CID 114924047) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
PubChem CID114924047
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
SMILESCCNc1cc(C(=O)N2CCOC(C#N)C2)c(Cl)cn1
InChIInChI=1S/C13H15ClN4O2/c1-2-16-12-5-10(11(14)7-17-12)13(19)18-3-4-20-9(6-15)8-18/h5,7,9H,2-4,8H2,1H3,(H,16,17)
InChIKeyXKKSNXWGGHVRQS-UHFFFAOYSA-N
XLogP1.53
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923708
4-[2-(ethylamino)-3-fluoropyridine-4-carbonyl]morpholine-2-carbonitrile
CID 105386866
[5-chloro-2-(ethylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114921371
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588815
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 114922288
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile
CID 79676191
[5-chloro-2-(ethylamino)-4-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394875
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114924753
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile (CID 114924047) is 4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile is CCNc1cc(C(=O)N2CCOC(C#N)C2)c(Cl)cn1.
What is the InChIKey of 4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile?
The InChIKey is XKKSNXWGGHVRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-2-16-12-5-10(11(14)7-17-12)13(19)18-3-4-20-9(6-15)8-18/h5,7,9H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile?
4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile has a molecular weight of 294.74 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(ethylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 114924047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).