N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide

C19H20ClFN4O3 — CID 155264535

IUPACN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
SMILESC=C(CCNC(=O)c1cnc(C)c(C)n1)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C19H20ClFN4O3/c1-11(6-7-22-19(27)17-9-23-12(2)13(3)25-17)24-18(26)10-28-14-4-5-15(20)16(21)8-14/h4-5,8-9H,1,6-7,10H2,2-3H3,(H,22,27)(H,24,26)
InChIKeyNYCBUTYJFWQFNI-UHFFFAOYSA-N
MW406.85 g/mol
LogP2.71
Rot. Bonds8

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide (PubChem CID 155264535) has the molecular formula C19H20ClFN4O3 and a molecular weight of 406.85 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
PubChem CID155264535
Molecular FormulaC19H20ClFN4O3
Molecular Weight406.85 g/mol
Exact Mass406.12
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
SMILESC=C(CCNC(=O)c1cnc(C)c(C)n1)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C19H20ClFN4O3/c1-11(6-7-22-19(27)17-9-23-12(2)13(3)25-17)24-18(26)10-28-14-4-5-15(20)16(21)8-14/h4-5,8-9H,1,6-7,10H2,2-3H3,(H,22,27)(H,24,26)
InChIKeyNYCBUTYJFWQFNI-UHFFFAOYSA-N
XLogP2.71
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-methylpyridine-2-carboxamide
CID 170000150
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-6-methoxypyridine-3-carboxamide
CID 155264448
5-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]pyridine-3-carboxamide
CID 155265207
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2-(dimethylamino)benzamide
CID 155264645
N-[2-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-ylamino]-2-oxoethyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 138632449
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-5-ethylpyridine-2-carboxamide
CID 155264541
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-methoxypyridine-2-carboxamide
CID 155264549
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]pent-4-enamide
CID 166896238
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
(E)-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enamide
CID 138632706
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 155265150

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide (CID 155264535) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide is C=C(CCNC(=O)c1cnc(C)c(C)n1)NC(=O)COc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide?
The InChIKey is NYCBUTYJFWQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O3/c1-11(6-7-22-19(27)17-9-23-12(2)13(3)25-17)24-18(26)10-28-14-4-5-15(20)16(21)8-14/h4-5,8-9H,1,6-7,10H2,2-3H3,(H,22,27)(H,24,26).
What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide?
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide has a molecular weight of 406.85 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 155264535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).