3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide

C15H23ClN4O — CID 62173834

IUPAC3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCC2CCCN(C)C2)n1
InChIInChI=1S/C15H23ClN4O/c1-3-17-13-7-6-12(16)14(19-13)15(21)18-9-11-5-4-8-20(2)10-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyWNOBLWUUVRRYNV-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.24
Rot. Bonds5

About 3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide

3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 62173834) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
PubChem CID62173834
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCC2CCCN(C)C2)n1
InChIInChI=1S/C15H23ClN4O/c1-3-17-13-7-6-12(16)14(19-13)15(21)18-9-11-5-4-8-20(2)10-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyWNOBLWUUVRRYNV-UHFFFAOYSA-N
XLogP2.24
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107415196
3-chloro-N-(2-cyclopentylethyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62181281
3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83024967
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 107401299
[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55042109
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 63940498
3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235022
[3-chloro-6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186546
[3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115967033
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide (CID 62173834) is 3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)NCC2CCCN(C)C2)n1.
What is the InChIKey of 3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is WNOBLWUUVRRYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-3-17-13-7-6-12(16)14(19-13)15(21)18-9-11-5-4-8-20(2)10-11/h6-7,11H,3-5,8-10H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of 3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62173834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).