2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide

C22H23FN6O3 — CID 146423026

IUPAC2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCC[C@H]3F)cn2)c1
InChIInChI=1S/C22H23FN6O3/c1-2-31-19-4-3-6-26-22(19)32-16-8-14(9-25-12-16)20-27-10-15(11-28-20)21(30)29-18-13-24-7-5-17(18)23/h3-4,6,8-12,17-18,24H,2,5,7,13H2,1H3,(H,29,30)/t17-,18-/m1/s1
InChIKeyBYEBWRQMQJIYTL-QZTJIDSGSA-N
MW438.46 g/mol
LogP2.55
Rot. Bonds7

About 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide

2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 146423026) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide
PubChem CID146423026
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCC[C@H]3F)cn2)c1
InChIInChI=1S/C22H23FN6O3/c1-2-31-19-4-3-6-26-22(19)32-16-8-14(9-25-12-16)20-27-10-15(11-28-20)21(30)29-18-13-24-7-5-17(18)23/h3-4,6,8-12,17-18,24H,2,5,7,13H2,1H3,(H,29,30)/t17-,18-/m1/s1
InChIKeyBYEBWRQMQJIYTL-QZTJIDSGSA-N
XLogP2.55
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

Ervogastat
CID 134262752
4Pxo8WQ1GP
CID 146422953
1-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-7-methoxy-1,8-naphthyridin-2(1H)-one
CID 15982407
8-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one
CID 56834577
US10071992, Example 6a
CID 134262719
US11034678, Example 3.6
CID 134262721
US10071992, Example 5
CID 134262726
US10071992, Example 2
CID 134262728
US10071992, Example 3.3
CID 134262736
US11065249, Example 6
CID 146422943
US11065249, Example 2
CID 146422956
US11065249, Example 3
CID 146423005

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide (CID 146423026) is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide is CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCC[C@H]3F)cn2)c1.
What is the InChIKey of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is BYEBWRQMQJIYTL-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-2-31-19-4-3-6-26-22(19)32-16-8-14(9-25-12-16)20-27-10-15(11-28-20)21(30)29-18-13-24-7-5-17(18)23/h3-4,6,8-12,17-18,24H,2,5,7,13H2,1H3,(H,29,30)/t17-,18-/m1/s1.
What are the key properties of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide?
2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 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-[(3R,4R)-4-fluoropiperidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 146423026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).