4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide

C15H23N3O2 — CID 81242094

IUPAC4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)N(C)CC1CCCOC1
InChIInChI=1S/C15H23N3O2/c1-3-17-14-6-7-16-9-13(14)15(19)18(2)10-12-5-4-8-20-11-12/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,16,17)
InChIKeyQUDDWRZHVYXTHO-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.01
Rot. Bonds5

About 4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide

4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 81242094) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
PubChem CID81242094
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)N(C)CC1CCCOC1
InChIInChI=1S/C15H23N3O2/c1-3-17-14-6-7-16-9-13(14)15(19)18(2)10-12-5-4-8-20-11-12/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,16,17)
InChIKeyQUDDWRZHVYXTHO-UHFFFAOYSA-N
XLogP2.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-N-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238812
4-(ethylamino)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81243241
4-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81241438
3-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105069188
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
N-(cyclopropylmethyl)-4-(ethylamino)-N-propylpyridine-3-carboxamide
CID 81242615
N-(cyclopentylmethyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236600
2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 105386353
3-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 105068980
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
4-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81242281

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide (CID 81242094) is 4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide is CCNc1ccncc1C(=O)N(C)CC1CCCOC1.
What is the InChIKey of 4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QUDDWRZHVYXTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-17-14-6-7-16-9-13(14)15(19)18(2)10-12-5-4-8-20-11-12/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,16,17).
What are the key properties of 4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81242094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).