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

C20H29N5O2 — CID 121416941

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1OC(C)C
InChIInChI=1S/C20H29N5O2/c1-7-25(12-11-24(6)20-22-15(4)13-16(5)23-20)19(26)17-9-8-10-21-18(17)27-14(2)3/h8-10,13-14H,7,11-12H2,1-6H3
InChIKeyPNCRQXVHBLHAKJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.87
Rot. Bonds8

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

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide (PubChem CID 121416941) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide
PubChem CID121416941
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1OC(C)C
InChIInChI=1S/C20H29N5O2/c1-7-25(12-11-24(6)20-22-15(4)13-16(5)23-20)19(26)17-9-8-10-21-18(17)27-14(2)3/h8-10,13-14H,7,11-12H2,1-6H3
InChIKeyPNCRQXVHBLHAKJ-UHFFFAOYSA-N
XLogP2.87
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.87
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]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide (CID 121416941) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1OC(C)C.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is PNCRQXVHBLHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-7-25(12-11-24(6)20-22-15(4)13-16(5)23-20)19(26)17-9-8-10-21-18(17)27-14(2)3/h8-10,13-14H,7,11-12H2,1-6H3.
What are the key properties of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.87, 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]-N-ethyl-2-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 121416941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).