5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide

C14H21ClN4OS — CID 106327037

IUPAC5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NCCN2CCSCC2)cc1Cl
InChIInChI=1S/C14H21ClN4OS/c1-2-16-13-12(15)9-11(10-18-13)14(20)17-3-4-19-5-7-21-8-6-19/h9-10H,2-8H2,1H3,(H,16,18)(H,17,20)
InChIKeyCIKYAJODXVPSRY-UHFFFAOYSA-N
MW328.87 g/mol
LogP1.95
Rot. Bonds6

About 5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide

5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 106327037) has the molecular formula C14H21ClN4OS and a molecular weight of 328.87 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID106327037
Molecular FormulaC14H21ClN4OS
Molecular Weight328.87 g/mol
Exact Mass328.11
IUPAC Name5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NCCN2CCSCC2)cc1Cl
InChIInChI=1S/C14H21ClN4OS/c1-2-16-13-12(15)9-11(10-18-13)14(20)17-3-4-19-5-7-21-8-6-19/h9-10H,2-8H2,1H3,(H,16,18)(H,17,20)
InChIKeyCIKYAJODXVPSRY-UHFFFAOYSA-N
XLogP1.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(ethylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 62166235
5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid
CID 114173858
5-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-2-carboxamide
CID 106327192
N-(2-butoxyethyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62176364
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 62180970
5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 103529940
[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 62170776
5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 106000787
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyrazine-2-carboxamide
CID 106327146
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide (CID 106327037) is 5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide is CCNc1ncc(C(=O)NCCN2CCSCC2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is CIKYAJODXVPSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4OS/c1-2-16-13-12(15)9-11(10-18-13)14(20)17-3-4-19-5-7-21-8-6-19/h9-10H,2-8H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide?
5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 328.87 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106327037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).