N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide

C15H19N5O2 — CID 122354385

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccnc(N(C)C)n2)cn1
InChIInChI=1S/C15H19N5O2/c1-4-22-13-6-5-11(9-17-13)14(21)18-10-12-7-8-16-15(19-12)20(2)3/h5-9H,4,10H2,1-3H3,(H,18,21)
InChIKeyHEUGGXHNQGNYAR-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.27
Rot. Bonds6

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide (PubChem CID 122354385) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
PubChem CID122354385
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccnc(N(C)C)n2)cn1
InChIInChI=1S/C15H19N5O2/c1-4-22-13-6-5-11(9-17-13)14(21)18-10-12-7-8-16-15(19-12)20(2)3/h5-9H,4,10H2,1-3H3,(H,18,21)
InChIKeyHEUGGXHNQGNYAR-UHFFFAOYSA-N
XLogP1.27
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 122254625
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354210
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide
CID 122354488
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]isoquinoline-1-carboxamide
CID 122354329
6-ethoxy-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 86849292
6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122262059
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide
CID 122354483
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 122354245
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122354035
6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide
CID 68629889

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide (CID 122354385) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)NCc2ccnc(N(C)C)n2)cn1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide?
The InChIKey is HEUGGXHNQGNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-4-22-13-6-5-11(9-17-13)14(21)18-10-12-7-8-16-15(19-12)20(2)3/h5-9H,4,10H2,1-3H3,(H,18,21).
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 122354385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).