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

C14H22N4OS — CID 106327044

IUPAC4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCN1CCSCC1
InChIInChI=1S/C14H22N4OS/c1-2-16-13-3-4-15-11-12(13)14(19)17-5-6-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,15,16)(H,17,19)
InChIKeyPNHXHHDNJZSHRX-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.29
Rot. Bonds6

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

4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 106327044) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID106327044
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCN1CCSCC1
InChIInChI=1S/C14H22N4OS/c1-2-16-13-3-4-15-11-12(13)14(19)17-5-6-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,15,16)(H,17,19)
InChIKeyPNHXHHDNJZSHRX-UHFFFAOYSA-N
XLogP1.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 103529940
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
5-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-2-carboxamide
CID 106327192
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyrazine-2-carboxamide
CID 106327146
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979
4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 81241199
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-(ethylamino)-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 81239986
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide (CID 106327044) is 4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCCN1CCSCC1.
What is the InChIKey of 4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is PNHXHHDNJZSHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-2-16-13-3-4-15-11-12(13)14(19)17-5-6-18-7-9-20-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,15,16)(H,17,19).
What are the key properties of 4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide?
4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106327044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).