5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide

C14H21ClN4O — CID 62180970

IUPAC5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NC2CCCN(C)C2)cc1Cl
InChIInChI=1S/C14H21ClN4O/c1-3-16-13-12(15)7-10(8-17-13)14(20)18-11-5-4-6-19(2)9-11/h7-8,11H,3-6,9H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyQXWAYVZZEXVCIS-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.99
Rot. Bonds4

About 5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide

5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 62180970) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
PubChem CID62180970
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)NC2CCCN(C)C2)cc1Cl
InChIInChI=1S/C14H21ClN4O/c1-3-16-13-12(15)7-10(8-17-13)14(20)18-11-5-4-6-19(2)9-11/h7-8,11H,3-6,9H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyQXWAYVZZEXVCIS-UHFFFAOYSA-N
XLogP1.99
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(ethylamino)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62171335
5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79311186
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 54950034
5-chloro-6-(ethylamino)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071772
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 62175962
[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 62170776
4-(ethylamino)-6-methyl-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243267
5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 106000787
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide (CID 62180970) is 5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide is CCNc1ncc(C(=O)NC2CCCN(C)C2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is QXWAYVZZEXVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-3-16-13-12(15)7-10(8-17-13)14(20)18-11-5-4-6-19(2)9-11/h7-8,11H,3-6,9H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of 5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide?
5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62180970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).