3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

C22H23FN6O3 — CID 10027898

IUPAC3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(OCCN3CCOCC3)c(F)c2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H23FN6O3/c23-17-12-15(3-4-19(17)32-11-8-29-6-9-31-10-7-29)18-14-26-21(24)20(28-18)22(30)27-16-2-1-5-25-13-16/h1-5,12-14H,6-11H2,(H2,24,26)(H,27,30)
InChIKeyUGWTTWJQEPCFLS-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.22
Rot. Bonds7

About 3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 10027898) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID10027898
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(OCCN3CCOCC3)c(F)c2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H23FN6O3/c23-17-12-15(3-4-19(17)32-11-8-29-6-9-31-10-7-29)18-14-26-21(24)20(28-18)22(30)27-16-2-1-5-25-13-16/h1-5,12-14H,6-11H2,(H2,24,26)(H,27,30)
InChIKeyUGWTTWJQEPCFLS-UHFFFAOYSA-N
XLogP2.22
TPSA115.49 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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 42628078
(R)-1-(3-(3-Amino-6-(2-fluoro-5-isopropoxyphenyl)pyrazine-2-carboxamido)pyridin-4-yl)piperidine-3-carboxylic acid
CID 139600315
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269493
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486581
3-amino-N-[4-(2-amino-6-methoxy-4-pyridinyl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68184638
2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192868
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 165415171
7-(4-Methoxyphenyl)-2,4-pteridinediol
CID 5409710
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486497
N-(m-Tolyl)-6-(4-ethoxyphenyl)-pyrazine-2-carboxamide
CID 52947201
6-(4-methoxyphenyl)-4(3H)-pteridinone
CID 135473443
3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10139085

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 10027898) is 3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is Nc1ncc(-c2ccc(OCCN3CCOCC3)c(F)c2)nc1C(=O)Nc1cccnc1.
What is the InChIKey of 3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is UGWTTWJQEPCFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c23-17-12-15(3-4-19(17)32-11-8-29-6-9-31-10-7-29)18-14-26-21(24)20(28-18)22(30)27-16-2-1-5-25-13-16/h1-5,12-14H,6-11H2,(H2,24,26)(H,27,30).
What are the key properties of 3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10027898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).