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

C21H21N5O4 — CID 134262752

IUPAC2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CCOC3)cn2)c1
InChIInChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyUKBQFBRPXKGJPY-INIZCTEOSA-N
MW407.43 g/mol
LogP2.64
Rot. Bonds7

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

2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide (PubChem CID 134262752) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
PubChem CID134262752
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CCOC3)cn2)c1
InChIInChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1
InChIKeyUKBQFBRPXKGJPY-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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide (CID 134262752) is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide is CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CCOC3)cn2)c1.
What is the InChIKey of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is UKBQFBRPXKGJPY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1.
What are the key properties of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide?
2-[5-[(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-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 134262752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).