N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide

C24H29N5O2 — CID 121416939

IUPACN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ncccc1-c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-5-29(17-16-28(4)23-26-15-13-20(27-23)24(2,3)31)22(30)21-19(12-9-14-25-21)18-10-7-6-8-11-18/h6-15,31H,5,16-17H2,1-4H3
InChIKeyXTJVFLLXMZCHNV-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.36
Rot. Bonds8

About N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide

N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide (PubChem CID 121416939) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide
PubChem CID121416939
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ncccc1-c1ccccc1
InChIInChI=1S/C24H29N5O2/c1-5-29(17-16-28(4)23-26-15-13-20(27-23)24(2,3)31)22(30)21-19(12-9-14-25-21)18-10-7-6-8-11-18/h6-15,31H,5,16-17H2,1-4H3
InChIKeyXTJVFLLXMZCHNV-UHFFFAOYSA-N
XLogP3.36
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide (CID 121416939) is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide is CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ncccc1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide?
The InChIKey is XTJVFLLXMZCHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-5-29(17-16-28(4)23-26-15-13-20(27-23)24(2,3)31)22(30)21-19(12-9-14-25-21)18-10-7-6-8-11-18/h6-15,31H,5,16-17H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide?
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-3-phenylpyridine-2-carboxamide is sourced from PubChem (CID 121416939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).