2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide

C21H21N5O4 — CID 155725116

IUPAC2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1ccc(-c2ncc(C(=O)N[C@H]3CCOC3)cn2)cn1
InChIInChI=1S/C21H21N5O4/c1-2-29-17-4-3-8-22-21(17)30-18-6-5-14(10-23-18)19-24-11-15(12-25-19)20(27)26-16-7-9-28-13-16/h3-6,8,10-12,16H,2,7,9,13H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyOHFUSMPZIXCUKT-INIZCTEOSA-N
MW407.43 g/mol
LogP2.64
Rot. Bonds7

About 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide

2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide (PubChem CID 155725116) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
PubChem CID155725116
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1ccc(-c2ncc(C(=O)N[C@H]3CCOC3)cn2)cn1
InChIInChI=1S/C21H21N5O4/c1-2-29-17-4-3-8-22-21(17)30-18-6-5-14(10-23-18)19-24-11-15(12-25-19)20(27)26-16-7-9-28-13-16/h3-6,8,10-12,16H,2,7,9,13H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyOHFUSMPZIXCUKT-INIZCTEOSA-N
XLogP2.64
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 126447092
1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
CID 115759514
2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 103839457
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
2-[(2-fluorophenyl)methoxy]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
CID 124850619
N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109263129
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 59568543
2-amino-N-[(3S)-oxolan-3-yl]pyridine-4-carboxamide
CID 121352227
4-[4-(2-imidazol-1-ylethoxy)phenyl]-N-(oxolan-3-yl)benzamide
CID 121495738
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
(2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine
CID 172793927
(3S)-N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
CID 100758962

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide (CID 155725116) is 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide is CCOc1cccnc1Oc1ccc(-c2ncc(C(=O)N[C@H]3CCOC3)cn2)cn1.
What is the InChIKey of 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is OHFUSMPZIXCUKT-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-2-29-17-4-3-8-22-21(17)30-18-6-5-14(10-23-18)19-24-11-15(12-25-19)20(27)26-16-7-9-28-13-16/h3-6,8,10-12,16H,2,7,9,13H2,1H3,(H,26,27)/t16-/m0/s1.
What are the key properties of 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide?
2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155725116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).