2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide

C14H21N3O3 — CID 104765708

IUPAC2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C14H21N3O3/c1-3-15-12-11(5-4-7-16-12)13(18)17-9-14(19-2)6-8-20-10-14/h4-5,7H,3,6,8-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGBQSJTMKRKUOAE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.05
Rot. Bonds6

About 2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide

2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 104765708) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
PubChem CID104765708
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NCC1(OC)CCOC1
InChIInChI=1S/C14H21N3O3/c1-3-15-12-11(5-4-7-16-12)13(18)17-9-14(19-2)6-8-20-10-14/h4-5,7H,3,6,8-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyGBQSJTMKRKUOAE-UHFFFAOYSA-N
XLogP1.05
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765747
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758296
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104705532
4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 104765742
N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide
CID 104705688
[2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133400100
N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 104708938
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104708991
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116673299

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide (CID 104765708) is 2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide is CCNc1ncccc1C(=O)NCC1(OC)CCOC1.
What is the InChIKey of 2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is GBQSJTMKRKUOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-15-12-11(5-4-7-16-12)13(18)17-9-14(19-2)6-8-20-10-14/h4-5,7H,3,6,8-10H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide?
2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 104765708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).