N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide

C19H27N5O2 — CID 121416827

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CCN(C)c1nc(C)cc(C)n1
InChIInChI=1S/C19H27N5O2/c1-6-24(18(25)16-9-8-10-20-17(16)26-7-2)12-11-23(5)19-21-14(3)13-15(4)22-19/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyXDLMNJJRFWRSAN-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.49
Rot. Bonds8

About N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide (PubChem CID 121416827) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide
PubChem CID121416827
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(CC)CCN(C)c1nc(C)cc(C)n1
InChIInChI=1S/C19H27N5O2/c1-6-24(18(25)16-9-8-10-20-17(16)26-7-2)12-11-23(5)19-21-14(3)13-15(4)22-19/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyXDLMNJJRFWRSAN-UHFFFAOYSA-N
XLogP2.49
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide (CID 121416827) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide is CCOc1ncccc1C(=O)N(CC)CCN(C)c1nc(C)cc(C)n1.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
The InChIKey is XDLMNJJRFWRSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-6-24(18(25)16-9-8-10-20-17(16)26-7-2)12-11-23(5)19-21-14(3)13-15(4)22-19/h8-10,13H,6-7,11-12H2,1-5H3.
What are the key properties of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 121416827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).