4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile

C12H13ClN4O2 — CID 78954257

IUPAC4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
SMILESCNc1cc(C(=O)N2CCOC(C#N)C2)cc(Cl)n1
InChIInChI=1S/C12H13ClN4O2/c1-15-11-5-8(4-10(13)16-11)12(18)17-2-3-19-9(6-14)7-17/h4-5,9H,2-3,7H2,1H3,(H,15,16)
InChIKeyLFTXRUPBKXVUND-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.14
Rot. Bonds2

About 4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile

4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile (PubChem CID 78954257) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
PubChem CID78954257
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
SMILESCNc1cc(C(=O)N2CCOC(C#N)C2)cc(Cl)n1
InChIInChI=1S/C12H13ClN4O2/c1-15-11-5-8(4-10(13)16-11)12(18)17-2-3-19-9(6-14)7-17/h4-5,9H,2-3,7H2,1H3,(H,15,16)
InChIKeyLFTXRUPBKXVUND-UHFFFAOYSA-N
XLogP1.14
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 78945956
4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
4-(3-chloro-5-methylbenzoyl)morpholine-2-carbonitrile
CID 81005565
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile
CID 79676191
(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid
CID 99718166
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-chloro-6-(methylamino)-4-pyridinyl]methanone
CID 62174892
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
CID 78945462
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497
[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186716
4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile
CID 79674643
4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile
CID 104641747

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile (CID 78954257) is 4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile is CNc1cc(C(=O)N2CCOC(C#N)C2)cc(Cl)n1.
What is the InChIKey of 4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile?
The InChIKey is LFTXRUPBKXVUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-15-11-5-8(4-10(13)16-11)12(18)17-2-3-19-9(6-14)7-17/h4-5,9H,2-3,7H2,1H3,(H,15,16).
What are the key properties of 4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile?
4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile has a molecular weight of 280.72 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 78954257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).