N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C15H18N4O3 — CID 166334024

IUPACN-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(OCCN)ccn2)c(=O)[nH]c1C
InChIInChI=1S/C15H18N4O3/c1-9-7-12(14(20)18-10(9)2)15(21)19-13-8-11(3-5-17-13)22-6-4-16/h3,5,7-8H,4,6,16H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyCMJZUCXJBHOUTN-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.98
Rot. Bonds5

About N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 166334024) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID166334024
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(OCCN)ccn2)c(=O)[nH]c1C
InChIInChI=1S/C15H18N4O3/c1-9-7-12(14(20)18-10(9)2)15(21)19-13-8-11(3-5-17-13)22-6-4-16/h3,5,7-8H,4,6,16H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyCMJZUCXJBHOUTN-UHFFFAOYSA-N
XLogP0.98
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 166334024) is N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(=O)Nc2cc(OCCN)ccn2)c(=O)[nH]c1C.
What is the InChIKey of N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CMJZUCXJBHOUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-7-12(14(20)18-10(9)2)15(21)19-13-8-11(3-5-17-13)22-6-4-16/h3,5,7-8H,4,6,16H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-2-pyridinyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166334024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).