N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C16H25N3O3 — CID 154739069

IUPACN-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCN(C)C)CC2CCCO2)c(O)c1
InChIInChI=1S/C16H25N3O3/c1-12-9-14(20)15(17-10-12)16(21)19(7-6-18(2)3)11-13-5-4-8-22-13/h9-10,13,20H,4-8,11H2,1-3H3
InChIKeyBRYPDMLMYIUIFA-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 154739069) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID154739069
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCN(C)C)CC2CCCO2)c(O)c1
InChIInChI=1S/C16H25N3O3/c1-12-9-14(20)15(17-10-12)16(21)19(7-6-18(2)3)11-13-5-4-8-22-13/h9-10,13,20H,4-8,11H2,1-3H3
InChIKeyBRYPDMLMYIUIFA-UHFFFAOYSA-N
XLogP1.28
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 154739069) is N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is Cc1cnc(C(=O)N(CCN(C)C)CC2CCCO2)c(O)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BRYPDMLMYIUIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12-9-14(20)15(17-10-12)16(21)19(7-6-18(2)3)11-13-5-4-8-22-13/h9-10,13,20H,4-8,11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154739069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).