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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Related Compounds

N-(4-methoxy-2-pyridinyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 75434501
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 46320509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 166327105
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 102821026
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 102821500
N-[4-(2-aminoethoxy)phenyl]-2-hydroxy-4-methylbenzamide
CID 43369291
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
N-[3-(2-aminoethoxy)phenyl]-3-methoxypyridine-4-carboxamide
CID 105062895
N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97117724
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539

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).