2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide

C21H30N4O3 — CID 121416907

IUPAC2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CCN(C)c1cccc(C(C)(C)O)n1
InChIInChI=1S/C21H30N4O3/c1-6-25(20(26)16-10-9-13-22-19(16)28-7-2)15-14-24(5)18-12-8-11-17(23-18)21(3,4)27/h8-13,27H,6-7,14-15H2,1-5H3
InChIKeyNTKGNDNKHIDWKA-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.70
Rot. Bonds9

About 2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide

2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide (PubChem CID 121416907) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide
PubChem CID121416907
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CCN(C)c1cccc(C(C)(C)O)n1
InChIInChI=1S/C21H30N4O3/c1-6-25(20(26)16-10-9-13-22-19(16)28-7-2)15-14-24(5)18-12-8-11-17(23-18)21(3,4)27/h8-13,27H,6-7,14-15H2,1-5H3
InChIKeyNTKGNDNKHIDWKA-UHFFFAOYSA-N
XLogP2.70
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 121427075
2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide
CID 121416879
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide
CID 121413896
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120519705
N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 17447267
N-[(5-bromofuran-2-yl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 51114491
2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
CID 121413987
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide (CID 121416907) is 2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)N(CC)CCN(C)c1cccc(C(C)(C)O)n1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is NTKGNDNKHIDWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-6-25(20(26)16-10-9-13-22-19(16)28-7-2)15-14-24(5)18-12-8-11-17(23-18)21(3,4)27/h8-13,27H,6-7,14-15H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide?
2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 121416907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).