3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide

C19H19ClFN5O2 — CID 121358981

IUPAC3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide
SMILESC#CC(C)(O/C=C\C)c1nc(N)c(C(=O)NCc2ncc(Cl)cc2F)nc1C
InChIInChI=1S/C19H19ClFN5O2/c1-5-7-28-19(4,6-2)16-11(3)25-15(17(22)26-16)18(27)24-10-14-13(21)8-12(20)9-23-14/h2,5,7-9H,10H2,1,3-4H3,(H2,22,26)(H,24,27)/b7-5-
InChIKeyLKZUYRYZXJJOQE-ALCCZGGFSA-N
MW403.85 g/mol
LogP2.88
Rot. Bonds6

About 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide

3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide (PubChem CID 121358981) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide
PubChem CID121358981
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide
SMILESC#CC(C)(O/C=C\C)c1nc(N)c(C(=O)NCc2ncc(Cl)cc2F)nc1C
InChIInChI=1S/C19H19ClFN5O2/c1-5-7-28-19(4,6-2)16-11(3)25-15(17(22)26-16)18(27)24-10-14-13(21)8-12(20)9-23-14/h2,5,7-9H,10H2,1,3-4H3,(H2,22,26)(H,24,27)/b7-5-
InChIKeyLKZUYRYZXJJOQE-ALCCZGGFSA-N
XLogP2.88
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-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

3-amino-N-[[4-[fluoro(iodo)methyl]-1-methylpyrazol-3-yl]methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide
CID 121359092
3-amino-N-[(4-chloro-2-pyridinyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
CID 145085853
3-amino-N-[(2,4-dichloro-6-methylphenyl)methyl]-6-methyl-5-[(Z)-1-[(Z)-prop-1-enoxy]prop-1-enyl]pyrazine-2-carboxamide
CID 145085848
3-amino-N-[(2-ethoxy-6-fluorophenyl)methyl]-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
CID 145085850
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide
CID 121351359
3-amino-N-(1H-benzimidazol-2-ylmethyl)-6-methyl-5-[1-[(Z)-prop-1-enoxy]ethenyl]pyrazine-2-carboxamide
CID 145085864
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]acetamide
CID 79727822
3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351365
ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 121397391
3-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 140754648
5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 171782391

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide (CID 121358981) is 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide is C#CC(C)(O/C=C\C)c1nc(N)c(C(=O)NCc2ncc(Cl)cc2F)nc1C.
What is the InChIKey of 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide?
The InChIKey is LKZUYRYZXJJOQE-ALCCZGGFSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-5-7-28-19(4,6-2)16-11(3)25-15(17(22)26-16)18(27)24-10-14-13(21)8-12(20)9-23-14/h2,5,7-9H,10H2,1,3-4H3,(H2,22,26)(H,24,27)/b7-5-.
What are the key properties of 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide?
3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide has a molecular weight of 403.85 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-6-methyl-5-[2-[(Z)-prop-1-enoxy]but-3-yn-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 121358981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).