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

C23H27N5O — CID 121427021

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C23H27N5O/c1-5-28(15-14-27(4)23-25-17(2)16-18(3)26-23)22(29)20-12-9-13-24-21(20)19-10-7-6-8-11-19/h6-13,16H,5,14-15H2,1-4H3
InChIKeySHGGFVGQUGZZDM-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.75
Rot. Bonds7

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

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide (PubChem CID 121427021) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide
PubChem CID121427021
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C23H27N5O/c1-5-28(15-14-27(4)23-25-17(2)16-18(3)26-23)22(29)20-12-9-13-24-21(20)19-10-7-6-8-11-19/h6-13,16H,5,14-15H2,1-4H3
InChIKeySHGGFVGQUGZZDM-UHFFFAOYSA-N
XLogP3.75
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Imnopitant
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide (CID 121427021) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1-c1ccccc1.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide?
The InChIKey is SHGGFVGQUGZZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-5-28(15-14-27(4)23-25-17(2)16-18(3)26-23)22(29)20-12-9-13-24-21(20)19-10-7-6-8-11-19/h6-13,16H,5,14-15H2,1-4H3.
What are the key properties of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 121427021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).