2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide

C20H29N5O3 — CID 121416825

IUPAC2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CCN(C)c1nccc(C(C)(C)O)n1
InChIInChI=1S/C20H29N5O3/c1-6-25(18(26)15-9-8-11-21-17(15)28-7-2)14-13-24(5)19-22-12-10-16(23-19)20(3,4)27/h8-12,27H,6-7,13-14H2,1-5H3
InChIKeyMLYDNIIDGFOHJE-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.10
Rot. Bonds9

About 2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide

2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide (PubChem CID 121416825) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide
PubChem CID121416825
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CCN(C)c1nccc(C(C)(C)O)n1
InChIInChI=1S/C20H29N5O3/c1-6-25(18(26)15-9-8-11-21-17(15)28-7-2)14-13-24(5)19-22-12-10-16(23-19)20(3,4)27/h8-12,27H,6-7,13-14H2,1-5H3
InChIKeyMLYDNIIDGFOHJE-UHFFFAOYSA-N
XLogP2.10
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide (CID 121416825) is 2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)N(CC)CCN(C)c1nccc(C(C)(C)O)n1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is MLYDNIIDGFOHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-6-25(18(26)15-9-8-11-21-17(15)28-7-2)14-13-24(5)19-22-12-10-16(23-19)20(3,4)27/h8-12,27H,6-7,13-14H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide?
2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 121416825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).